N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | Y502-1639 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamide |
| Molecular Weight: | 394.39 |
| Molecular Formula: | C20 H18 N4 O5 |
| Smiles: | Cc1cc(nn1Cc1ccccc1C(Nc1ccc2c(c1)OCCO2)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.8889 |
| logD: | 1.885 |
| logSw: | -2.9854 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.927 |
| InChI Key: | ZLCBCWJYWZWZDT-UHFFFAOYSA-N |