N-(3-chloro-2-methylphenyl)-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-(3-chloro-2-methylphenyl)-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-(3-chloro-2-methylphenyl)-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | L925-0407 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-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: | Cc1c(cccc1[Cl])NS(c1ccc2c(c1)NC(C(CC(N1CCCC1)=O)CS2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5634 |
| logD: | 2.6283 |
| logSw: | -3.7191 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.886 |
| InChI Key: | CASZKRWDDWJFLK-OAHLLOKOSA-N |