N-[1-(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]-3-(4-nitrophenyl)prop-2-enamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[1-(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]-3-(4-nitrophenyl)prop-2-enamide--hydrogen chloride (1/1)
N-[1-(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]-3-(4-nitrophenyl)prop-2-enamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | F269-0595 |
| Compound Name: | N-[1-(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]-3-(4-nitrophenyl)prop-2-enamide--hydrogen chloride (1/1) |
| Molecular Weight: | 444.88 |
| Molecular Formula: | C20 H20 N6 O4 |
| Salt: | HCl |
| Smiles: | CCC1=C(C)N=C(NC1=O)n1c(cc(C)n1)NC(/C=C/c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5187 |
| logD: | 2.3562 |
| logSw: | -2.8745 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.657 |
| InChI Key: | JDQRZWDNJGRCNF-JXMROGBWSA-N |