ethyl 6-{[4-(4-chlorobenzoyl)-3-methylpiperazin-1-yl]methyl}-1-ethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(4-chlorobenzoyl)-3-methylpiperazin-1-yl]methyl}-1-ethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(4-chlorobenzoyl)-3-methylpiperazin-1-yl]methyl}-1-ethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V020-1599 |
| Compound Name: | ethyl 6-{[4-(4-chlorobenzoyl)-3-methylpiperazin-1-yl]methyl}-1-ethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 593.05 |
| Molecular Formula: | C29 H32 Cl F3 N4 O4 |
| Salt: | not_available |
| Smiles: | CCN1C(CN2CCN(C(C)C2)C(c2ccc(cc2)[Cl])=O)=C(C(c2ccc(cc2)C(F)(F)F)NC1=O)C(=O)OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9086 |
| logD: | 4.4788 |
| logSw: | -5.0963 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.156 |
| InChI Key: | QFFJQQLNOFBWEC-UHFFFAOYSA-N |