N-(2,4,6-trimethylphenyl)-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-(2,4,6-trimethylphenyl)-2-(1,1,4-trioxo-2-phenyl-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide
N-(2,4,6-trimethylphenyl)-2-(1,1,4-trioxo-2-phenyl-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide
Compound characteristics
| Compound ID: | C867-0167 |
| Compound Name: | N-(2,4,6-trimethylphenyl)-2-(1,1,4-trioxo-2-phenyl-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C26 H26 N2 O4 S |
| Smiles: | Cc1cc(C)c(c(C)c1)NC(CN1C(CC(c2ccccc2)S(c2ccccc12)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0178 |
| logD: | 4.0178 |
| logSw: | -4.0692 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.412 |
| InChI Key: | OKXYWBUHKYXTAP-QHCPKHFHSA-N |