N-(4-chloro-2-methylphenyl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-(4-chloro-2-methylphenyl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-(4-chloro-2-methylphenyl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-1481 |
| Compound Name: | N-(4-chloro-2-methylphenyl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 396.91 |
| Molecular Formula: | C17 H17 Cl N2 O3 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(Nc1ccc(cc1C)[Cl])(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9801 |
| logD: | 3.1166 |
| logSw: | -4.1953 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.342 |
| InChI Key: | VRTHMNRMZXCBFV-LLVKDONJSA-N |