butan-2-yl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
butan-2-yl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
butan-2-yl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 3999-6225 |
| Compound Name: | butan-2-yl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 379.37 |
| Molecular Formula: | C17 H21 N3 O7 |
| Smiles: | CCC(C)OC(C1C(c2cc(c(c(c2)OC)O)[N+]([O-])=O)NC(NC=1C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3723 |
| logD: | 1.5593 |
| logSw: | -2.6597 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 112.198 |
| InChI Key: | PQKSKKAGSZGNSW-UHFFFAOYSA-N |