1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(6-methoxypyridine-3-carbonyl)-N-methylpiperazine-2-carboxamide
Chemical Structure Depiction of
1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(6-methoxypyridine-3-carbonyl)-N-methylpiperazine-2-carboxamide
1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(6-methoxypyridine-3-carbonyl)-N-methylpiperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-0213 |
| Compound Name: | 1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(6-methoxypyridine-3-carbonyl)-N-methylpiperazine-2-carboxamide |
| Molecular Weight: | 447.42 |
| Molecular Formula: | C21 H20 F3 N5 O3 |
| Smiles: | CNC(C1CN(CCN1c1ccc(C#N)c(c1)C(F)(F)F)C(c1ccc(nc1)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5628 |
| logD: | 1.5628 |
| logSw: | -2.162 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.248 |
| InChI Key: | KSMYNLXBTVQAMI-KRWDZBQOSA-N |