N-(3-chloro-4-methylphenyl)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-(3-chloro-4-methylphenyl)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-1744 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-3-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: | CC1CSc2ccc(cc2NC1=O)S(Nc1ccc(C)c(c1)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4696 |
| logD: | 3.6365 |
| logSw: | -4.3185 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.097 |
| InChI Key: | INQFWKXGNTWBFV-LLVKDONJSA-N |