N-[3-(3-methylphenoxy)-5-nitrophenyl]-2-(4-nitro-1H-pyrazol-1-yl)acetamide
Chemical Structure Depiction of
N-[3-(3-methylphenoxy)-5-nitrophenyl]-2-(4-nitro-1H-pyrazol-1-yl)acetamide
N-[3-(3-methylphenoxy)-5-nitrophenyl]-2-(4-nitro-1H-pyrazol-1-yl)acetamide
Compound characteristics
| Compound ID: | Y501-6063 |
| Compound Name: | N-[3-(3-methylphenoxy)-5-nitrophenyl]-2-(4-nitro-1H-pyrazol-1-yl)acetamide |
| Molecular Weight: | 397.35 |
| Molecular Formula: | C18 H15 N5 O6 |
| Smiles: | Cc1cccc(c1)Oc1cc(cc(c1)[N+]([O-])=O)NC(Cn1cc(cn1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.812 |
| logD: | 3.8111 |
| logSw: | -3.857 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.404 |
| InChI Key: | HLTNQCSHYOZOEF-UHFFFAOYSA-N |