ethyl 1-butyl-4-{3-[(3-chloro-4-fluorophenyl)carbamamido]phenyl}-2-oxo-6-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-butyl-4-{3-[(3-chloro-4-fluorophenyl)carbamamido]phenyl}-2-oxo-6-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-butyl-4-{3-[(3-chloro-4-fluorophenyl)carbamamido]phenyl}-2-oxo-6-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V015-1074 |
| Compound Name: | ethyl 1-butyl-4-{3-[(3-chloro-4-fluorophenyl)carbamamido]phenyl}-2-oxo-6-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 565.04 |
| Molecular Formula: | C30 H30 Cl F N4 O4 |
| Smiles: | CCCCN1C(=C(C(c2cccc(c2)NC(Nc2ccc(c(c2)[Cl])F)=O)NC1=O)C(=O)OCC)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.6218 |
| logD: | 7.6216 |
| logSw: | -6.4027 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.082 |
| InChI Key: | XGVYLWAPTFXZLN-SANMLTNESA-N |