3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-phenylbutanamide
Chemical Structure Depiction of
3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-phenylbutanamide
3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-phenylbutanamide
Compound characteristics
| Compound ID: | L705-0624 |
| Compound Name: | 3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-phenylbutanamide |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C19 H20 N2 O4 S2 |
| Smiles: | CC(CC(Nc1ccccc1)=O)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1105 |
| logD: | 2.1104 |
| logSw: | -3.006 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.04 |
| InChI Key: | NSSKQDLHPHEMGI-ZDUSSCGKSA-N |