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
- Formal charge
- 0
- Complexity
- 424
Related reactions
3 records
Compound notes
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