ethyl 6-[(4-benzylpiperazin-1-yl)methyl]-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-[(4-benzylpiperazin-1-yl)methyl]-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-[(4-benzylpiperazin-1-yl)methyl]-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
Compound ID: | E733-0033 |
Compound Name: | ethyl 6-[(4-benzylpiperazin-1-yl)methyl]-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
Molecular Weight: | 452.53 |
Molecular Formula: | C25 H29 F N4 O3 |
Smiles: | CCOC(C1C(c2ccc(cc2)F)NC(NC=1CN1CCN(CC1)Cc1ccccc1)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.4733 |
logD: | 2.4733 |
logSw: | -2.7617 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 64.325 |
InChI Key: | DDABWWJSQKWWNW-QHCPKHFHSA-N |