ethyl 2-(methylsulfanyl)-4-{[3-(trifluoromethyl)phenyl]carbamamido}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 2-(methylsulfanyl)-4-{[3-(trifluoromethyl)phenyl]carbamamido}pyrimidine-5-carboxylate
ethyl 2-(methylsulfanyl)-4-{[3-(trifluoromethyl)phenyl]carbamamido}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E729-0051 |
| Compound Name: | ethyl 2-(methylsulfanyl)-4-{[3-(trifluoromethyl)phenyl]carbamamido}pyrimidine-5-carboxylate |
| Molecular Weight: | 400.38 |
| Molecular Formula: | C16 H15 F3 N4 O3 S |
| Smiles: | CCOC(c1cnc(nc1NC(Nc1cccc(c1)C(F)(F)F)=O)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5881 |
| logD: | 3.8991 |
| logSw: | -4.2974 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.75 |
| InChI Key: | AOEQZTRMDNBAIX-UHFFFAOYSA-N |