ethyl 1-butyl-2-oxo-6-phenyl-4-(3-{[2-(trifluoromethyl)phenyl]carbamamido}phenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-butyl-2-oxo-6-phenyl-4-(3-{[2-(trifluoromethyl)phenyl]carbamamido}phenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-butyl-2-oxo-6-phenyl-4-(3-{[2-(trifluoromethyl)phenyl]carbamamido}phenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V015-1039 |
| Compound Name: | ethyl 1-butyl-2-oxo-6-phenyl-4-(3-{[2-(trifluoromethyl)phenyl]carbamamido}phenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 580.61 |
| Molecular Formula: | C31 H31 F3 N4 O4 |
| Smiles: | CCCCN1C(=C(C(c2cccc(c2)NC(Nc2ccccc2C(F)(F)F)=O)NC1=O)C(=O)OCC)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.4082 |
| logD: | 7.408 |
| logSw: | -5.6787 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.384 |
| InChI Key: | QMGKQFVPWCBZFD-SANMLTNESA-N |