(adamantan-1-yl)(4-{6-methyl-5-(propan-2-yl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}piperazin-1-yl)methanone
Chemical Structure Depiction of
(adamantan-1-yl)(4-{6-methyl-5-(propan-2-yl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}piperazin-1-yl)methanone
(adamantan-1-yl)(4-{6-methyl-5-(propan-2-yl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}piperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V005-7491 |
| Compound Name: | (adamantan-1-yl)(4-{6-methyl-5-(propan-2-yl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}piperazin-1-yl)methanone |
| Molecular Weight: | 526.65 |
| Molecular Formula: | C30 H37 F3 N4 O |
| Smiles: | CC(C)c1c(C)nc(c2ccc(cc2)C(F)(F)F)nc1N1CCN(CC1)C(C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 8.4307 |
| logD: | 8.06 |
| logSw: | -5.8901 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.99 |
| InChI Key: | OCQUTOBLFMOEMP-UHFFFAOYSA-N |