N-[(4-methoxyphenyl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[(4-methoxyphenyl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | E975-1518 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 378.47 |
| Molecular Formula: | C17 H18 N2 O4 S2 |
| Smiles: | COc1ccc(CNS(c2ccc3c(c2)NC(CCS3)=O)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.377 |
| logD: | 2.3768 |
| logSw: | -2.9688 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.692 |
| InChI Key: | AWWKUUVTVUUPSW-UHFFFAOYSA-N |