ethyl 6-{[4-(2-chlorobenzoyl)-3-methylpiperazin-1-yl]methyl}-1-ethyl-4-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(2-chlorobenzoyl)-3-methylpiperazin-1-yl]methyl}-1-ethyl-4-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(2-chlorobenzoyl)-3-methylpiperazin-1-yl]methyl}-1-ethyl-4-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V020-1620 |
| Compound Name: | ethyl 6-{[4-(2-chlorobenzoyl)-3-methylpiperazin-1-yl]methyl}-1-ethyl-4-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 539.07 |
| Molecular Formula: | C29 H35 Cl N4 O4 |
| Salt: | not_available |
| Smiles: | CCN1C(CN2CCN(C(C)C2)C(c2ccccc2[Cl])=O)=C(C(c2cccc(C)c2)NC1=O)C(=O)OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4054 |
| logD: | 3.9756 |
| logSw: | -4.4924 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.156 |
| InChI Key: | YMHICCNNXKLEDU-UHFFFAOYSA-N |