N-[(4-methylphenyl)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-[(4-methylphenyl)methyl]-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[(4-methylphenyl)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: | L925-0386 |
| Compound Name: | N-[(4-methylphenyl)methyl]-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(CNS(c2ccc3c(c2)NC(C(CC(N2CCCC2)=O)CS3)=O)(=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.963 |
| logD: | 2.9621 |
| logSw: | -3.411 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.692 |
| InChI Key: | SGCIDAGJTPWTPM-GOSISDBHSA-N |