N-(5-chloro-2-methoxyphenyl)-2-(1,1,4-trioxo-2-phenyl-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-(1,1,4-trioxo-2-phenyl-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide
N-(5-chloro-2-methoxyphenyl)-2-(1,1,4-trioxo-2-phenyl-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide
Compound characteristics
| Compound ID: | C867-0179 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-(1,1,4-trioxo-2-phenyl-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide |
| Molecular Weight: | 484.96 |
| Molecular Formula: | C24 H21 Cl N2 O5 S |
| Smiles: | COc1ccc(cc1NC(CN1C(CC(c2ccccc2)S(c2ccccc12)(=O)=O)=O)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7574 |
| logD: | 3.7503 |
| logSw: | -4.3053 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.741 |
| InChI Key: | HKNXSZZILIBGSB-JOCHJYFZSA-N |