1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-N-methylpiperazine-2-carboxamide
Chemical Structure Depiction of
1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-N-methylpiperazine-2-carboxamide
1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-N-methylpiperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-0318 |
| Compound Name: | 1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-N-methylpiperazine-2-carboxamide |
| Molecular Weight: | 465.43 |
| Molecular Formula: | C21 H22 F3 N5 O4 |
| Smiles: | Cc1c(COC)c(C(N2CCN(C(C2)C(NC)=O)c2ccc(C#N)c(c2)C(F)(F)F)=O)no1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1675 |
| logD: | 1.1675 |
| logSw: | -2.3447 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.322 |
| InChI Key: | IBBYGDCYUSQTDV-KRWDZBQOSA-N |