N-(4-chloro-2-fluorophenyl)-3-[(3,4-dinitro-1H-pyrazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-3-[(3,4-dinitro-1H-pyrazol-1-yl)methyl]benzamide
N-(4-chloro-2-fluorophenyl)-3-[(3,4-dinitro-1H-pyrazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | Y508-8132 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-3-[(3,4-dinitro-1H-pyrazol-1-yl)methyl]benzamide |
| Molecular Weight: | 419.75 |
| Molecular Formula: | C17 H11 Cl F N5 O5 |
| Smiles: | C(c1cccc(c1)C(Nc1ccc(cc1F)[Cl])=O)n1cc(c(n1)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3476 |
| logD: | 2.795 |
| logSw: | -3.8152 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.309 |
| InChI Key: | UUBJDOHBRLMUKI-UHFFFAOYSA-N |