N-[1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]-3-nitrobenzamide
N-[1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | F269-0408 |
| Compound Name: | N-[1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]-3-nitrobenzamide |
| Molecular Weight: | 368.35 |
| Molecular Formula: | C17 H16 N6 O4 |
| Smiles: | CC1=C(C)N=C(NC1=O)n1c(cc(C)n1)NC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4638 |
| logD: | 0.2611 |
| logSw: | -2.25 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.87 |
| InChI Key: | YFSNGEXZUWPJDG-UHFFFAOYSA-N |