N-(3,4-dichlorophenyl)-1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(3,4-dichlorophenyl)-1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxamide
N-(3,4-dichlorophenyl)-1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-3933 |
| Compound Name: | N-(3,4-dichlorophenyl)-1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 407.21 |
| Molecular Formula: | C17 H12 Cl2 N4 O4 |
| Smiles: | C(n1ccc(C(Nc2ccc(c(c2)[Cl])[Cl])=O)n1)Oc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4074 |
| logD: | 4.3607 |
| logSw: | -4.5993 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.86 |
| InChI Key: | MCVVUSGHTRDJOO-UHFFFAOYSA-N |