3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-(2-chloropyridin-3-yl)benzamide
Chemical Structure Depiction of
3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-(2-chloropyridin-3-yl)benzamide
3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-(2-chloropyridin-3-yl)benzamide
Compound characteristics
| Compound ID: | Y501-1287 |
| Compound Name: | 3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-(2-chloropyridin-3-yl)benzamide |
| Molecular Weight: | 436.65 |
| Molecular Formula: | C16 H11 Br Cl N5 O3 |
| Smiles: | C(c1cccc(c1)C(Nc1cccnc1[Cl])=O)n1cc(c(n1)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.7073 |
| logD: | 2.6635 |
| logSw: | -3.5522 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.913 |
| InChI Key: | AUZXBCOZWUURDM-UHFFFAOYSA-N |