2-methylpropyl 4-{3-[(3-cyanophenyl)carbamamido]phenyl}-6-methyl-2-oxo-1-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-methylpropyl 4-{3-[(3-cyanophenyl)carbamamido]phenyl}-6-methyl-2-oxo-1-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-methylpropyl 4-{3-[(3-cyanophenyl)carbamamido]phenyl}-6-methyl-2-oxo-1-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V015-4185 |
| Compound Name: | 2-methylpropyl 4-{3-[(3-cyanophenyl)carbamamido]phenyl}-6-methyl-2-oxo-1-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 489.57 |
| Molecular Formula: | C27 H31 N5 O4 |
| Smiles: | CCCN1C(C)=C(C(c2cccc(c2)NC(Nc2cccc(C#N)c2)=O)NC1=O)C(=O)OCC(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3777 |
| logD: | 5.3761 |
| logSw: | -5.4258 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.376 |
| InChI Key: | OHEFILQGSFKZMW-XMMPIXPASA-N |