N-[(2-chlorophenyl)methyl]-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)butanamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)butanamide
N-[(2-chlorophenyl)methyl]-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)butanamide
Compound characteristics
| Compound ID: | L705-0425 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)butanamide |
| Molecular Weight: | 452.98 |
| Molecular Formula: | C20 H21 Cl N2 O4 S2 |
| Smiles: | CC(CC(NCc1ccccc1[Cl])=O)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6999 |
| logD: | 2.6998 |
| logSw: | -3.2726 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.363 |
| InChI Key: | HGJRPKVWXGJMJE-ZDUSSCGKSA-N |