ethyl 4-(3,4-dichlorophenyl)-6-{[4-(3-methylbutanoyl)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-(3,4-dichlorophenyl)-6-{[4-(3-methylbutanoyl)piperazin-1-yl]methyl}-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(3,4-dichlorophenyl)-6-{[4-(3-methylbutanoyl)piperazin-1-yl]methyl}-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V015-9406 |
| Compound Name: | ethyl 4-(3,4-dichlorophenyl)-6-{[4-(3-methylbutanoyl)piperazin-1-yl]methyl}-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 537.49 |
| Molecular Formula: | C26 H34 Cl2 N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccc(c(c2)[Cl])[Cl])NC(N(CC=C)C=1CN1CCN(CC1)C(CC(C)C)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5114 |
| logD: | 3.9155 |
| logSw: | -4.6619 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.936 |
| InChI Key: | GCFDEACJHFCYLF-DEOSSOPVSA-N |