4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
Chemical Structure Depiction of
4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
Compound characteristics
| Compound ID: | Y502-9535 |
| Compound Name: | 4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide |
| Molecular Weight: | 414.8 |
| Molecular Formula: | C19 H15 Cl N4 O5 |
| Smiles: | C(c1ccc(cc1)C(Nc1ccc2c(c1)OCCO2)=O)n1cc(c(n1)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.1761 |
| logD: | 2.1744 |
| logSw: | -3.3495 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.749 |
| InChI Key: | QHINTVLKYBQALS-UHFFFAOYSA-N |