N-[(3-methylphenyl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-[(3-methylphenyl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[(3-methylphenyl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2822 |
| Compound Name: | N-[(3-methylphenyl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 362.47 |
| Molecular Formula: | C17 H18 N2 O3 S2 |
| Smiles: | Cc1cccc(CNS(c2ccc3c(c2)NC(CCS3)=O)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.0831 |
| logD: | 3.0827 |
| logSw: | -3.4215 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.148 |
| InChI Key: | BDFGUQFUAZNDTD-UHFFFAOYSA-N |