Research chemical
CAS Number: 1223975-84-5
![N-(4-acetylphenyl)-2-({7-oxo-8-[(oxolan-2-yl)methyl]-5-thia-1,8,10,11-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,9,11-tetraen-12-yl}sulfanyl)acetamide molecular structure, CAS 1223975-84-5](/structure-images/1223975-84-5.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
50784869
Exact Mass
483.103497
InChIKey
KKDGBTRAAOJRCH-UHFFFAOYSA-N
IUPAC Name
N-(4-acetylphenyl)-2-[[7-oxo-8-(oxolan-2-ylmethyl)-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-12-yl]sulfanyl]acetamide
SMILES String
CC(=O)c1ccc(NC(=O)CSc2nnc3n(CC4CCCO4)c(=O)c4sccc4n23)cc1
No physical property values available.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
N-(4-acetylphenyl)-2-({7-oxo-8-[(oxolan-2-yl)methyl]-5-thia-1,8,10,11-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,9,11-tetraen-12-yl}sulfanyl)acetamide is identified by CAS 1223975-84-5, with molecular formula C22H21N5O4S2, molecular weight 483.6, InChIKey KKDGBTRAAOJRCH-UHFFFAOYSA-N.
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Ordering
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
33
H-bond acceptors
9
H-bond donors
1
Rotatable bonds
7
Ring count
5
Aromatic rings
4
Topological polar surface area
107.59 Ų
Computed LogP
3.22
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
N-(4-acetylphenyl)-2-({7-oxo-8-[(oxolan-2-yl)methyl]-5-thia-1,8,10,11-tetraazatricyclo[7. 3. 0.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
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