ethyl 4-(3-chlorophenyl)-6-{[4-(3-fluorobenzoyl)-3-methylpiperazin-1-yl]methyl}-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(3-chlorophenyl)-6-{[4-(3-fluorobenzoyl)-3-methylpiperazin-1-yl]methyl}-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(3-chlorophenyl)-6-{[4-(3-fluorobenzoyl)-3-methylpiperazin-1-yl]methyl}-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V015-8687 |
| Compound Name: | ethyl 4-(3-chlorophenyl)-6-{[4-(3-fluorobenzoyl)-3-methylpiperazin-1-yl]methyl}-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 555.05 |
| Molecular Formula: | C29 H32 Cl F N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2cccc(c2)[Cl])NC(N(CC=C)C=1CN1CCN(C(C)C1)C(c1cccc(c1)F)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3674 |
| logD: | 4.0104 |
| logSw: | -4.5128 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.41 |
| InChI Key: | PAODHIWJCFLNCQ-UHFFFAOYSA-N |