2-methylpropyl 1-butyl-4-[3-(4-hexylbenzamido)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-methylpropyl 1-butyl-4-[3-(4-hexylbenzamido)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-methylpropyl 1-butyl-4-[3-(4-hexylbenzamido)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V012-7333 |
| Compound Name: | 2-methylpropyl 1-butyl-4-[3-(4-hexylbenzamido)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 547.74 |
| Molecular Formula: | C33 H45 N3 O4 |
| Smiles: | CCCCCCc1ccc(cc1)C(Nc1cccc(c1)C1C(=C(C)N(CCCC)C(N1)=O)C(=O)OCC(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.36 |
| logD: | 8.3584 |
| logSw: | -5.6055 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.108 |
| InChI Key: | BMNONUSPOXGRSJ-SSEXGKCCSA-N |