1-[(2-chloro-4-nitrophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-[(2-chloro-4-nitrophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-3-carboxamide
1-[(2-chloro-4-nitrophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-3657 |
| Compound Name: | 1-[(2-chloro-4-nitrophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 430.8 |
| Molecular Formula: | C19 H15 Cl N4 O6 |
| Smiles: | C1COc2cc(ccc2O1)NC(c1ccn(COc2ccc(cc2[Cl])[N+]([O-])=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5068 |
| logD: | 2.5066 |
| logSw: | -3.4646 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.984 |
| InChI Key: | NWKKSPGZBMFIJM-UHFFFAOYSA-N |