Research chemical
CAS Number: 1330321-46-4
![N-[3-(dimethylamino)propyl]-N-{10,13-dioxa-4-thia-6-azatricyclo[7.4.0.0^{3,7}]trideca-1,3(7),5,8-tetraen-5-yl}-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamide hydrochloride molecular structure, CAS 1330321-46-4](/structure-images/1330321-46-4.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
44894512
Exact Mass
516.123419
InChIKey
DOYVQUIMKFDSTM-UHFFFAOYSA-N
IUPAC Name
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(1,3-dioxoisoindol-2-yl)acetamide;hydrochloride
SMILES String
CN(C)CCCN(C(=O)CN1C(=O)c2ccccc2C1=O)c1nc2cc3c(cc2s1)OCCO3.Cl
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-[3-(dimethylamino)propyl]-N-{10,13-dioxa-4-thia-6-azatricyclo[7.4.0.0^{3,7}]trideca-1,3(7),5,8-tetraen-5-yl}-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamide hydrochloride is identified by CAS 1330321-46-4, with molecular formula C24H25ClN4O5S, molecular weight 517, InChIKey DOYVQUIMKFDSTM-UHFFFAOYSA-N.
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
35
H-bond acceptors
9
H-bond donors
0
Rotatable bonds
7
Ring count
5
Aromatic rings
3
Topological polar surface area
92.28 Ų
Computed LogP
3.07
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-[3-(dimethylamino)propyl]-N-{10,13-dioxa-4-thia-6-azatricyclo[7. 4. 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
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