4-[4-(methoxyacetyl)-3-{[(pyridin-3-yl)oxy]methyl}piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(methoxyacetyl)-3-{[(pyridin-3-yl)oxy]methyl}piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(methoxyacetyl)-3-{[(pyridin-3-yl)oxy]methyl}piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0417 |
| Compound Name: | 4-[4-(methoxyacetyl)-3-{[(pyridin-3-yl)oxy]methyl}piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 434.42 |
| Molecular Formula: | C21 H21 F3 N4 O3 |
| Smiles: | COCC(N1CCN(CC1COc1cccnc1)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9452 |
| logD: | 1.9377 |
| logSw: | -2.192 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.696 |
| InChI Key: | FMMYXMOQKSIPRU-QGZVFWFLSA-N |