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 |