2-[2-(3,4-dimethoxyphenyl)-1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl]-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
2-[2-(3,4-dimethoxyphenyl)-1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl]-N-(4-methylphenyl)acetamide
2-[2-(3,4-dimethoxyphenyl)-1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl]-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | C867-0237 |
| Compound Name: | 2-[2-(3,4-dimethoxyphenyl)-1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl]-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 494.57 |
| Molecular Formula: | C26 H26 N2 O6 S |
| Smiles: | Cc1ccc(cc1)NC(CN1C(CC(c2ccc(c(c2)OC)OC)S(c2ccccc12)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5558 |
| logD: | 3.5558 |
| logSw: | -3.9016 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.069 |
| InChI Key: | NFYWJTGZKOMHJR-DEOSSOPVSA-N |