N-(4-chloro-2-fluorophenyl)-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-(4-chloro-2-fluorophenyl)-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-(4-chloro-2-fluorophenyl)-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | L925-0487 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 497.99 |
| Molecular Formula: | C21 H21 Cl F N3 O4 S2 |
| Smiles: | C1CCN(C1)C(CC1CSc2ccc(cc2NC1=O)S(Nc1ccc(cc1F)[Cl])(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3911 |
| logD: | 0.9437 |
| logSw: | -3.7905 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.886 |
| InChI Key: | SLXWKNJZJKUCJD-CYBMUJFWSA-N |