N-(2H-1,3-benzodioxol-5-yl)-4-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-4-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
N-(2H-1,3-benzodioxol-5-yl)-4-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | Y501-1991 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-4-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide |
| Molecular Weight: | 366.33 |
| Molecular Formula: | C18 H14 N4 O5 |
| Smiles: | C(c1ccc(cc1)C(Nc1ccc2c(c1)OCO2)=O)n1cc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4367 |
| logD: | 2.435 |
| logSw: | -2.9294 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.332 |
| InChI Key: | FHPBHPMUKCSSJB-UHFFFAOYSA-N |