N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}isoquinoline-1-carboxamide
Chemical Structure Depiction of
N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}isoquinoline-1-carboxamide
N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}isoquinoline-1-carboxamide
Compound characteristics
| Compound ID: | S471-0622 |
| Compound Name: | N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}isoquinoline-1-carboxamide |
| Molecular Weight: | 415.42 |
| Molecular Formula: | C21 H20 F3 N5 O |
| Smiles: | Cc1nc(cc(n1)N1CCC(CC1)NC(c1c2ccccc2ccn1)=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.6825 |
| logD: | 3.6824 |
| logSw: | -3.9048 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.832 |
| InChI Key: | MZZVXCMFXRZWNS-UHFFFAOYSA-N |