3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-(2-phenylethyl)propanamide
Chemical Structure Depiction of
3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-(2-phenylethyl)propanamide
3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-(2-phenylethyl)propanamide
Compound characteristics
| Compound ID: | L705-0111 |
| Compound Name: | 3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-(2-phenylethyl)propanamide |
| Molecular Weight: | 418.53 |
| Molecular Formula: | C20 H22 N2 O4 S2 |
| Smiles: | C1CSc2ccc(cc2NC1=O)S(CCC(NCCc1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2684 |
| logD: | 1.2683 |
| logSw: | -2.2594 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.468 |
| InChI Key: | JPKRJMVIJHEDIF-UHFFFAOYSA-N |