ethyl 4-amino-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidine-5-carboxylate
ethyl 4-amino-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E726-0058 |
| Compound Name: | ethyl 4-amino-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidine-5-carboxylate |
| Molecular Weight: | 357.35 |
| Molecular Formula: | C15 H14 F3 N3 O2 S |
| Smiles: | CCOC(c1cnc(nc1N)SCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6285 |
| logD: | 3.6285 |
| logSw: | -3.9128 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.232 |
| InChI Key: | DUSOFCIOLUBQDD-UHFFFAOYSA-N |