methyl 4-(3-{[3,5-bis(trifluoromethyl)phenyl]carbamamido}phenyl)-6-methyl-2-oxo-1-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-(3-{[3,5-bis(trifluoromethyl)phenyl]carbamamido}phenyl)-6-methyl-2-oxo-1-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-(3-{[3,5-bis(trifluoromethyl)phenyl]carbamamido}phenyl)-6-methyl-2-oxo-1-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V002-8546 |
| Compound Name: | methyl 4-(3-{[3,5-bis(trifluoromethyl)phenyl]carbamamido}phenyl)-6-methyl-2-oxo-1-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 558.48 |
| Molecular Formula: | C25 H24 F6 N4 O4 |
| Smiles: | CCCN1C(C)=C(C(c2cccc(c2)NC(Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)=O)NC1=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4415 |
| logD: | 6.4383 |
| logSw: | -5.7298 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.365 |
| InChI Key: | YOYACJMGBORPDI-FQEVSTJZSA-N |