ethyl 4-(4-chlorophenyl)-6-[(4-ethylpiperazin-1-yl)methyl]-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-chlorophenyl)-6-[(4-ethylpiperazin-1-yl)methyl]-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(4-chlorophenyl)-6-[(4-ethylpiperazin-1-yl)methyl]-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V018-6829 |
| Compound Name: | ethyl 4-(4-chlorophenyl)-6-[(4-ethylpiperazin-1-yl)methyl]-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 446.98 |
| Molecular Formula: | C23 H31 Cl N4 O3 |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)CC1=C(C(c2ccc(cc2)[Cl])NC(N1CC=C)=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9506 |
| logD: | 1.6479 |
| logSw: | -3.7718 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.272 |
| InChI Key: | QISNUJACOFRJBI-NRFANRHFSA-N |