2-[2-(3,4-dimethoxyphenyl)-1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl]-N-(4-fluorophenyl)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-fluorophenyl)acetamide
2-[2-(3,4-dimethoxyphenyl)-1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl]-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | C867-0247 |
| 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-fluorophenyl)acetamide |
| Molecular Weight: | 498.53 |
| Molecular Formula: | C25 H23 F N2 O6 S |
| Smiles: | COc1ccc(cc1OC)C1CC(N(CC(Nc2ccc(cc2)F)=O)c2ccccc2S1(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1614 |
| logD: | 3.1612 |
| logSw: | -3.561 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.069 |
| InChI Key: | GIMQUZRTHDWUSM-QHCPKHFHSA-N |