[8-Methyl-2-(4-methylphenyl)-5-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] benzoate
Basic information
- Standard SMILES
Cc1ccc(C2Sc3cc(C)ccc3N(CCN(C)C(=O)OCc3ccccc3)C(=O)C2OC(=O)c2ccccc2)cc1- InChIKey
RDQQZYXRGNPOQP-UHFFFAOYSA-N- Molecular formula
- C35H34N2O5S
- Average molar mass
- 594.7 g/mol
- Monoisotopic mass
- 594.21884336
Names & identifiers
- Preferred name
- [8-Methyl-2-(4-methylphenyl)-5-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] benzoate
- IUPAC
- [8-methyl-2-(4-methylphenyl)-5-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] benzoate
Names & synonyms
SCHEMBL11019056
Database identifiers
- PubChem CID
- 23318079
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 927
Related reactions
1 records
Compound notes
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