N-[1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]-3-nitrobenzamide
N-[1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | F269-0157 |
| Compound Name: | N-[1-(4-ethyl-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: | CCC1=CC(NC(=N1)n1c(cc(C)n1)NC(c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7253 |
| logD: | 0.5226 |
| logSw: | -2.3833 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.624 |
| InChI Key: | NMEOUUQXDWONTE-UHFFFAOYSA-N |