N-[3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl]-4-nitrobenzamide
N-[3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | F269-0057 |
| Compound Name: | N-[3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl]-4-nitrobenzamide |
| Molecular Weight: | 354.32 |
| Molecular Formula: | C16 H14 N6 O4 |
| Smiles: | CC1=CC(NC(=N1)n1c(cc(C)n1)NC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.171 |
| logD: | 0.7301 |
| logSw: | -2.298 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.017 |
| InChI Key: | DVSORDYVUKAQGU-UHFFFAOYSA-N |