4-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0184 |
| Compound Name: | 4-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 438.47 |
| Molecular Formula: | C20 H21 F3 N4 O2 S |
| Smiles: | Cc1c(C(N2CCN(CC2COC)c2ccc(C#N)c(c2)C(F)(F)F)=O)sc(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1024 |
| logD: | 3.1024 |
| logSw: | -3.2761 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.596 |
| InChI Key: | QSSNXKUZOLAIDV-MRXNPFEDSA-N |