(+)-cis-2-(4-methoxyphenyl)-3-hydroxy-7,8-dimethyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one

HCID 70409347

Basic information

Standard SMILES
COc1ccc([C@@H]2Sc3cc(C)c(C)cc3NC(=O)[C@@H]2O)cc1
InChIKey
PXEOGRUZCBAXLL-SJORKVTESA-N
Molecular formula
C18H19NO3S
Average molar mass
329.4 g/mol

Names & identifiers

Preferred name
(+)-cis-2-(4-methoxyphenyl)-3-hydroxy-7,8-dimethyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
IUPAC
(2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-7,8-dimethyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Names & synonyms

SCHEMBL10636594PXEOGRUZCBAXLL-SJORKVTESA-N(+)-cis-2-(4-methoxyphenyl)-3-hydroxy-7,8-dimethyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one(+/-)-cis-2-(4-methoxyphenyl)-3-hydroxy-7,8-dimethyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one

Database identifiers

PubChem CID
70409347

Properties

Computed structural properties

XLogP
3
Topological polar surface area
83.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
23

Related reactions

3 records

Compound notes

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