N-{1-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-3-(3-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-{1-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-3-(3-nitrophenyl)prop-2-enamide
N-{1-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-3-(3-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | Y501-3788 |
| Compound Name: | N-{1-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-3-(3-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 417.25 |
| Molecular Formula: | C19 H14 Cl2 N4 O3 |
| Smiles: | C(c1c(cccc1[Cl])[Cl])n1cc(cn1)NC(/C=C/c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5782 |
| logD: | 4.578 |
| logSw: | -4.6716 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.003 |
| InChI Key: | POEYHJYWVJVHBZ-UHFFFAOYSA-N |