4-[4-(2,3-dimethoxybenzoyl)-3-(hydroxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(2,3-dimethoxybenzoyl)-3-(hydroxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(2,3-dimethoxybenzoyl)-3-(hydroxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0021 |
| Compound Name: | 4-[4-(2,3-dimethoxybenzoyl)-3-(hydroxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 449.43 |
| Molecular Formula: | C22 H22 F3 N3 O4 |
| Smiles: | [H]OCC1CN(CCN1C(c1cccc(c1OC)OC)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6081 |
| logD: | 2.6081 |
| logSw: | -3.1835 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.246 |
| InChI Key: | CRNSGAWPZXTRGB-MRXNPFEDSA-N |