4-[4-(3,4-dimethylbenzoyl)-3-{[(pyridin-3-yl)oxy]methyl}piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(3,4-dimethylbenzoyl)-3-{[(pyridin-3-yl)oxy]methyl}piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(3,4-dimethylbenzoyl)-3-{[(pyridin-3-yl)oxy]methyl}piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0425 |
| Compound Name: | 4-[4-(3,4-dimethylbenzoyl)-3-{[(pyridin-3-yl)oxy]methyl}piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 494.52 |
| Molecular Formula: | C27 H25 F3 N4 O2 |
| Smiles: | Cc1ccc(cc1C)C(N1CCN(CC1COc1cccnc1)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6923 |
| logD: | 4.6847 |
| logSw: | -4.1935 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.528 |
| InChI Key: | CNIXZSXSGJRVLH-HSZRJFAPSA-N |