ethyl 4-(2-chlorophenyl)-6-{[3-methyl-4-(propylcarbamoyl)piperazin-1-yl]methyl}-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(2-chlorophenyl)-6-{[3-methyl-4-(propylcarbamoyl)piperazin-1-yl]methyl}-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2-chlorophenyl)-6-{[3-methyl-4-(propylcarbamoyl)piperazin-1-yl]methyl}-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V026-4717 |
| Compound Name: | ethyl 4-(2-chlorophenyl)-6-{[3-methyl-4-(propylcarbamoyl)piperazin-1-yl]methyl}-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 518.06 |
| Molecular Formula: | C26 H36 Cl N5 O4 |
| Salt: | not_available |
| Smiles: | CCCNC(N1CCN(CC1C)CC1=C(C(c2ccccc2[Cl])NC(N1CC=C)=O)C(=O)OCC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9379 |
| logD: | 2.0185 |
| logSw: | -4.15 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.666 |
| InChI Key: | GDYMDLXSNVTWFJ-UHFFFAOYSA-N |