ethyl 6-[(4-acetylpiperazin-1-yl)methyl]-4-(3,4-dichlorophenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-[(4-acetylpiperazin-1-yl)methyl]-4-(3,4-dichlorophenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-[(4-acetylpiperazin-1-yl)methyl]-4-(3,4-dichlorophenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V016-9272 |
| Compound Name: | ethyl 6-[(4-acetylpiperazin-1-yl)methyl]-4-(3,4-dichlorophenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 495.41 |
| Molecular Formula: | C23 H28 Cl2 N4 O4 |
| Smiles: | CCOC(C1C(c2ccc(c(c2)[Cl])[Cl])NC(N(CC=C)C=1CN1CCN(CC1)C(C)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4013 |
| logD: | 2.9487 |
| logSw: | -3.7682 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.931 |
| InChI Key: | VLZOKCYLXLJDCC-NRFANRHFSA-N |