3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
Chemical Structure Depiction of
3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
Compound characteristics
| Compound ID: | Y503-1647 |
| Compound Name: | 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide |
| Molecular Weight: | 352.73 |
| Molecular Formula: | C14 H13 Cl N4 O5 |
| Smiles: | C(Cn1cc(c(n1)[N+]([O-])=O)[Cl])C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9752 |
| logD: | 0.9751 |
| logSw: | -2.6856 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.785 |
| InChI Key: | OEKMAEVSFJHZKW-UHFFFAOYSA-N |