ethyl 6-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
Compound ID: | E749-0013 |
Compound Name: | ethyl 6-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
Molecular Weight: | 471.53 |
Molecular Formula: | C22 H25 N5 O5 S |
Smiles: | CCOC(C1C(c2cccs2)NC(NC=1CN1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.5333 |
logD: | 2.5333 |
logSw: | -2.8784 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 98.445 |
InChI Key: | GAQKWRSRMOEXKE-FQEVSTJZSA-N |