4-ethyl-6-[4-(methanesulfonyl)piperazin-1-yl]-2-(propan-2-yl)-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidine
Chemical Structure Depiction of
4-ethyl-6-[4-(methanesulfonyl)piperazin-1-yl]-2-(propan-2-yl)-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidine
4-ethyl-6-[4-(methanesulfonyl)piperazin-1-yl]-2-(propan-2-yl)-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidine
Compound characteristics
| Compound ID: | V029-4978 |
| Compound Name: | 4-ethyl-6-[4-(methanesulfonyl)piperazin-1-yl]-2-(propan-2-yl)-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidine |
| Molecular Weight: | 470.56 |
| Molecular Formula: | C22 H29 F3 N4 O2 S |
| Salt: | not_available |
| Smiles: | CCc1c(Cc2cccc(c2)C(F)(F)F)c(nc(C(C)C)n1)N1CCN(CC1)S(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0263 |
| logD: | 4.8623 |
| logSw: | -4.8265 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.472 |
| InChI Key: | KVQBZXAUPWFVHT-UHFFFAOYSA-N |