2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(3-methoxy-5-nitrophenyl)benzamide
Chemical Structure Depiction of
2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(3-methoxy-5-nitrophenyl)benzamide
2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(3-methoxy-5-nitrophenyl)benzamide
Compound characteristics
| Compound ID: | Y502-1210 |
| Compound Name: | 2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(3-methoxy-5-nitrophenyl)benzamide |
| Molecular Weight: | 425.4 |
| Molecular Formula: | C20 H19 N5 O6 |
| Smiles: | Cc1c(c(C)n(Cc2ccccc2C(Nc2cc(cc(c2)OC)[N+]([O-])=O)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4093 |
| logD: | 2.9633 |
| logSw: | -3.9618 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.316 |
| InChI Key: | GSVYBVXMLYXEPU-UHFFFAOYSA-N |