N-{2-(2H-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl}-3,4-dimethylbenzamide
Chemical Structure Depiction of
N-{2-(2H-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl}-3,4-dimethylbenzamide
N-{2-(2H-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl}-3,4-dimethylbenzamide
Compound characteristics
| Compound ID: | G856-4267 |
| Compound Name: | N-{2-(2H-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl}-3,4-dimethylbenzamide |
| Molecular Weight: | 475.56 |
| Molecular Formula: | C28 H30 F N3 O3 |
| Smiles: | Cc1ccc(cc1C)C(NCC(c1ccc2c(c1)OCO2)N1CCN(CC1)c1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.253 |
| logD: | 5.2255 |
| logSw: | -5.1735 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.017 |
| InChI Key: | XNADPSBPCZMCNQ-VWLOTQADSA-N |