N-[(4-chlorophenyl)methyl]-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[(4-chlorophenyl)methyl]-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-1687 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-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(NCc1ccc(cc1)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6353 |
| logD: | 3.6348 |
| logSw: | -3.8086 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.205 |
| InChI Key: | PJGBBCPJKJZHJX-LLVKDONJSA-N |