N-[(2,5-dimethylphenyl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-[(2,5-dimethylphenyl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[(2,5-dimethylphenyl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2731 |
| Compound Name: | N-[(2,5-dimethylphenyl)methyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 376.49 |
| Molecular Formula: | C18 H20 N2 O3 S2 |
| Smiles: | Cc1ccc(C)c(CNS(c2ccc3c(c2)NC(CCS3)=O)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.6562 |
| logD: | 3.6552 |
| logSw: | -3.7054 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.148 |
| InChI Key: | FZWKPTJYHGYJIU-UHFFFAOYSA-N |