butan-2-yl 6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
butan-2-yl 6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
butan-2-yl 6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 2251-3072 |
| Compound Name: | butan-2-yl 6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 333.34 |
| Molecular Formula: | C16 H19 N3 O5 |
| Smiles: | CCC(C)OC(C1C(c2cccc(c2)[N+]([O-])=O)NC(NC=1C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7238 |
| logD: | 2.5736 |
| logSw: | -3.0922 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.389 |
| InChI Key: | FLIUPXFFDCLVLD-UHFFFAOYSA-N |