ethyl 4-(4-chlorophenyl)-2-oxo-1-(prop-2-en-1-yl)-6-{[4-(propylcarbamoyl)piperazin-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-chlorophenyl)-2-oxo-1-(prop-2-en-1-yl)-6-{[4-(propylcarbamoyl)piperazin-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(4-chlorophenyl)-2-oxo-1-(prop-2-en-1-yl)-6-{[4-(propylcarbamoyl)piperazin-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V026-4668 |
| Compound Name: | ethyl 4-(4-chlorophenyl)-2-oxo-1-(prop-2-en-1-yl)-6-{[4-(propylcarbamoyl)piperazin-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 504.03 |
| Molecular Formula: | C25 H34 Cl N5 O4 |
| Salt: | not_available |
| Smiles: | CCCNC(N1CCN(CC1)CC1=C(C(c2ccc(cc2)[Cl])NC(N1CC=C)=O)C(=O)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2757 |
| logD: | 1.3319 |
| logSw: | -3.8904 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.447 |
| InChI Key: | BBRLAOJUCRQXLS-QFIPXVFZSA-N |