N-benzyl-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-benzyl-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
N-benzyl-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | L705-0210 |
| Compound Name: | N-benzyl-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C19 H20 N2 O4 S2 |
| Smiles: | C1CSc2ccc(cc2NC1=O)S(CCC(NCc1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4937 |
| logD: | 1.4936 |
| logSw: | -2.3598 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.627 |
| InChI Key: | VJBUDDBIRWZAOT-UHFFFAOYSA-N |