methyl 2-{[2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carbonyl]amino}benzoate
methyl 2-{[2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carbonyl]amino}benzoate
Compound characteristics
Compound ID: | E727-0717 |
Compound Name: | methyl 2-{[2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carbonyl]amino}benzoate |
Molecular Weight: | 371.34 |
Molecular Formula: | C15 H12 F3 N3 O3 S |
Smiles: | COC(c1ccccc1NC(c1cnc(nc1C(F)(F)F)SC)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.0967 |
logD: | -0.6883 |
logSw: | -3.6194 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.391 |
InChI Key: | FHSLOMGLPRRPNA-UHFFFAOYSA-N |