but-2-en-1-yl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
but-2-en-1-yl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
but-2-en-1-yl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
Compound ID: | 2191-2798 |
Compound Name: | but-2-en-1-yl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
Molecular Weight: | 331.33 |
Molecular Formula: | C16 H17 N3 O5 |
Smiles: | C/C=C/COC(C1C(c2ccc(cc2)[N+]([O-])=O)NC(NC=1C)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.0166 |
logD: | 1.9272 |
logSw: | -2.6265 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 90.121 |
InChI Key: | HLMBJUUXHYFVEF-AWEZNQCLSA-N |