2-methyl-N-[(4-methylphenyl)methyl]-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Chemical Structure Depiction of
2-methyl-N-[(4-methylphenyl)methyl]-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
2-methyl-N-[(4-methylphenyl)methyl]-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | L705-0855 |
| Compound Name: | 2-methyl-N-[(4-methylphenyl)methyl]-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide |
| Molecular Weight: | 432.56 |
| Molecular Formula: | C21 H24 N2 O4 S2 |
| Smiles: | CC(CS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O)C(NCc1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9381 |
| logD: | 1.938 |
| logSw: | -2.7166 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.84 |
| InChI Key: | YQUOOEHQVZFLHG-HNNXBMFYSA-N |