N-[(2,5-dimethylphenyl)methyl]-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-[(2,5-dimethylphenyl)methyl]-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[(2,5-dimethylphenyl)methyl]-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2339 |
| Compound Name: | N-[(2,5-dimethylphenyl)methyl]-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 390.52 |
| Molecular Formula: | C19 H22 N2 O3 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(NCc1cc(C)ccc1C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0969 |
| logD: | 4.0959 |
| logSw: | -4.0962 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.148 |
| InChI Key: | OPMURUAHXHKVNU-CQSZACIVSA-N |