N-(2,5-dimethylphenyl)-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-(2,5-dimethylphenyl)-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-(2,5-dimethylphenyl)-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | L925-0409 |
| Compound Name: | N-(2,5-dimethylphenyl)-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 473.61 |
| Molecular Formula: | C23 H27 N3 O4 S2 |
| Smiles: | Cc1ccc(C)c(c1)NS(c1ccc2c(c1)NC(C(CC(N1CCCC1)=O)CS2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8969 |
| logD: | 2.869 |
| logSw: | -3.2582 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.886 |
| InChI Key: | FWGNKICVIDXDMB-QGZVFWFLSA-N |