methyl 6-amino-5-cyano-4-(2,5-dimethyl-3-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}phenyl)-2-methyl-4H-pyran-3-carboxylate
Chemical Structure Depiction of
methyl 6-amino-5-cyano-4-(2,5-dimethyl-3-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}phenyl)-2-methyl-4H-pyran-3-carboxylate
methyl 6-amino-5-cyano-4-(2,5-dimethyl-3-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}phenyl)-2-methyl-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 7420-0025 |
| Compound Name: | methyl 6-amino-5-cyano-4-(2,5-dimethyl-3-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}phenyl)-2-methyl-4H-pyran-3-carboxylate |
| Molecular Weight: | 446.43 |
| Molecular Formula: | C22 H21 F3 N4 O3 |
| Smiles: | CC1=C(C(C(C#N)=C(N)O1)c1cc(C)cc(Cn2ccc(C(F)(F)F)n2)c1C)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3232 |
| logD: | 3.3232 |
| logSw: | -3.5723 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.255 |
| InChI Key: | KICWWWXQMPQPFD-LJQANCHMSA-N |