N-{2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl}-2H-1,3-benzodioxole-5-carboxamide
N-{2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | G500-0666 |
| Compound Name: | N-{2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 490.58 |
| Molecular Formula: | C28 H31 F N4 O3 |
| Smiles: | CN(C)c1ccc(cc1)C(CNC(c1ccc2c(c1)OCO2)=O)N1CCN(CC1)c1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3173 |
| logD: | 4.3149 |
| logSw: | -4.2486 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.822 |
| InChI Key: | YRFDBPSTZOXGMG-VWLOTQADSA-N |