{4-[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl}[3-(trifluoromethyl)phenyl]methanone
Chemical Structure Depiction of
{4-[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl}[3-(trifluoromethyl)phenyl]methanone
{4-[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl}[3-(trifluoromethyl)phenyl]methanone
Compound characteristics
Compound ID: | D430-0095 |
Compound Name: | {4-[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl}[3-(trifluoromethyl)phenyl]methanone |
Molecular Weight: | 419.45 |
Molecular Formula: | C21 H24 F3 N5 O |
Smiles: | Cc1nc(cc(n1)N1CCN(CC1)C(c1cccc(c1)C(F)(F)F)=O)N1CCCC1 |
Stereo: | ACHIRAL |
logP: | 4.0901 |
logD: | 4.0665 |
logSw: | -4.2848 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 41.076 |
InChI Key: | MSEUIRCPELBISB-UHFFFAOYSA-N |