4-{4-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-3-(methoxymethyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{4-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-3-(methoxymethyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
4-{4-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-3-(methoxymethyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0226 |
| Compound Name: | 4-{4-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-3-(methoxymethyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 478.51 |
| Molecular Formula: | C24 H29 F3 N4 O3 |
| Smiles: | Cc1cc(C(N2CCN(CC2COC)c2ccc(C#N)c(c2)C(F)(F)F)=O)c(C)n1CCOC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8293 |
| logD: | 2.8293 |
| logSw: | -3.1416 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.721 |
| InChI Key: | SOUGNONSACPIFW-HXUWFJFHSA-N |