ethyl 6-{[4-(4-chlorobenzoyl)-3-methylpiperazin-1-yl]methyl}-4-(3-chlorophenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(4-chlorobenzoyl)-3-methylpiperazin-1-yl]methyl}-4-(3-chlorophenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(4-chlorobenzoyl)-3-methylpiperazin-1-yl]methyl}-4-(3-chlorophenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V015-8699 |
| Compound Name: | ethyl 6-{[4-(4-chlorobenzoyl)-3-methylpiperazin-1-yl]methyl}-4-(3-chlorophenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 571.5 |
| Molecular Formula: | C29 H32 Cl2 N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2cccc(c2)[Cl])NC(N(CC=C)C=1CN1CCN(C(C)C1)C(c1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9234 |
| logD: | 4.5664 |
| logSw: | -5.0293 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.41 |
| InChI Key: | FBYNSQRDSHOEQU-UHFFFAOYSA-N |