N-(6-acetyl-3-(benzo[d]thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3,4-diethoxybenzamide

HCID 43950776

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Basic information

CAS: 1172229-75-2
Standard SMILES: CCOc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(C(C)=O)C3)cc1OCC
InChIKey: XQHCQKNEGQIFCL-UHFFFAOYSA-N
Molecular formula: C27H27N3O4S2
Average molar mass: 521.7 g/mol
Monoisotopic mass: 521.1442987

Names & identifiers

Preferred name: N-(6-acetyl-3-(benzo[d]thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3,4-diethoxybenzamide
IUPAC: N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3,4-diethoxybenzamide

Names & synonyms

DTXSID3011141221172229-75-2N-(6-acetyl-3-(benzo[d]thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3,4-diethoxybenzamideF1298-1062N-[6-Acetyl-3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3,4-diethoxybenzamideN-[6-Acetyl-3-(2-benzothiazolyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3,4-diethoxybenzamide

Database identifiers

CAS: 1172229-75-2
PubChem CID: 43950776
DTXSID: DTXSID301114122

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 137 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 36
Formal charge: 0
Complexity: 788

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