methyl 2-{4-[2-amino-3-cyano-6-methyl-4,4-bis(trifluoromethyl)pyridin-1(4H)-yl]-3,5-dimethylphenyl}-3,3,3-trifluoro-2-hydroxypropanoate
Chemical Structure Depiction of
methyl 2-{4-[2-amino-3-cyano-6-methyl-4,4-bis(trifluoromethyl)pyridin-1(4H)-yl]-3,5-dimethylphenyl}-3,3,3-trifluoro-2-hydroxypropanoate
methyl 2-{4-[2-amino-3-cyano-6-methyl-4,4-bis(trifluoromethyl)pyridin-1(4H)-yl]-3,5-dimethylphenyl}-3,3,3-trifluoro-2-hydroxypropanoate
Compound characteristics
| Compound ID: | 8015-4256 |
| Compound Name: | methyl 2-{4-[2-amino-3-cyano-6-methyl-4,4-bis(trifluoromethyl)pyridin-1(4H)-yl]-3,5-dimethylphenyl}-3,3,3-trifluoro-2-hydroxypropanoate |
| Molecular Weight: | 531.38 |
| Molecular Formula: | C21 H18 F9 N3 O3 |
| Smiles: | CC1=CC(C(C#N)=C(N)N1c1c(C)cc(cc1C)C(C(=O)OC)(C(F)(F)F)O)(C(F)(F)F)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0129 |
| logD: | 5.0129 |
| logSw: | -4.7116 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.524 |
| InChI Key: | MJBOTZQAQMRSON-GOSISDBHSA-N |