2-[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-(4-fluorophenyl)acetamide
2-[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | C714-0346 |
| Compound Name: | 2-[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-(4-fluorophenyl)acetamide |
| Molecular Weight: | 466.53 |
| Molecular Formula: | C25 H23 F N2 O4 S |
| Smiles: | COc1ccc(cc1OC)C1CC(N(CC(Nc2ccc(cc2)F)=O)c2ccccc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4789 |
| logD: | 4.4787 |
| logSw: | -4.271 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.089 |
| InChI Key: | YKBXZMDRZZHSAJ-QHCPKHFHSA-N |