2-[3-Acetyloxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-[2-(3,4-dimethoxyphenyl)ethyl]-dimethylazanium

HCID 20149243
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Basic information

Standard SMILES
COc1ccc(C2Sc3ccccc3N(CC[N+](C)(C)CCc3ccc(OC)c(OC)c3)C(=O)C2OC(C)=O)cc1
InChIKey
CVILKYGTAUKJBS-UHFFFAOYSA-N
Molecular formula
C32H39N2O6S+
Average molar mass
579.7 g/mol

Names & identifiers

Preferred name
2-[3-Acetyloxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-[2-(3,4-dimethoxyphenyl)ethyl]-dimethylazanium
IUPAC
2-[3-acetyloxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-[2-(3,4-dimethoxyphenyl)ethyl]-dimethylazanium

Database identifiers

PubChem CID
20149243

Properties

Computed structural properties

XLogP
5
Topological polar surface area
99.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
12
Heavy atoms
41

Related reactions

1 records
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Compound notes

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