4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3-nitro-5-phenoxyphenyl)butanamide
Chemical Structure Depiction of
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3-nitro-5-phenoxyphenyl)butanamide
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3-nitro-5-phenoxyphenyl)butanamide
Compound characteristics
| Compound ID: | C163-0333 |
| Compound Name: | 4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3-nitro-5-phenoxyphenyl)butanamide |
| Molecular Weight: | 439.43 |
| Molecular Formula: | C21 H21 N5 O6 |
| Smiles: | Cc1c(c(C)n(CCCC(Nc2cc(cc(c2)Oc2ccccc2)[N+]([O-])=O)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2667 |
| logD: | 3.2631 |
| logSw: | -3.7594 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.557 |
| InChI Key: | LHDKICQOAWLIRJ-UHFFFAOYSA-N |