ethyl 1-butyl-4-[3-(3-chloro-2,2-dimethylpropanamido)phenyl]-2-oxo-6-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-butyl-4-[3-(3-chloro-2,2-dimethylpropanamido)phenyl]-2-oxo-6-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-butyl-4-[3-(3-chloro-2,2-dimethylpropanamido)phenyl]-2-oxo-6-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V002-0719 |
| Compound Name: | ethyl 1-butyl-4-[3-(3-chloro-2,2-dimethylpropanamido)phenyl]-2-oxo-6-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 512.05 |
| Molecular Formula: | C28 H34 Cl N3 O4 |
| Smiles: | CCCCN1C(=C(C(c2cccc(c2)NC(C(C)(C)C[Cl])=O)NC1=O)C(=O)OCC)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4011 |
| logD: | 6.4009 |
| logSw: | -5.6556 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.142 |
| InChI Key: | RKQBQAALYODXSM-QHCPKHFHSA-N |