N-(2,4-dimethylphenyl)-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-(2,4-dimethylphenyl)-2-(1,1,4-trioxo-2-phenyl-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide
N-(2,4-dimethylphenyl)-2-(1,1,4-trioxo-2-phenyl-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide
Compound characteristics
| Compound ID: | C867-0165 |
| Compound Name: | N-(2,4-dimethylphenyl)-2-(1,1,4-trioxo-2-phenyl-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C25 H24 N2 O4 S |
| Smiles: | Cc1ccc(c(C)c1)NC(CN1C(CC(c2ccccc2)S(c2ccccc12)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9872 |
| logD: | 3.9871 |
| logSw: | -4.0238 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.11 |
| InChI Key: | RQESJRGHPRPJOI-QHCPKHFHSA-N |