N-[(2-chlorophenyl)methyl]-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[(2-chlorophenyl)methyl]-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | L925-0350 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 494.03 |
| Molecular Formula: | C22 H24 Cl N3 O4 S2 |
| Smiles: | C1CCN(C1)C(CC1CSc2ccc(cc2NC1=O)S(NCc1ccccc1[Cl])(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2679 |
| logD: | 3.267 |
| logSw: | -3.4266 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.692 |
| InChI Key: | JWIZQVCRUMEWHA-MRXNPFEDSA-N |