N-(2-chloro-4-nitrophenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-(2-chloro-4-nitrophenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
N-(2-chloro-4-nitrophenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0242 |
| Compound Name: | N-(2-chloro-4-nitrophenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 381.77 |
| Molecular Formula: | C15 H16 Cl N5 O5 |
| Smiles: | Cc1c(c(C)n(CCCC(Nc2ccc(cc2[Cl])[N+]([O-])=O)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.6727 |
| logD: | 1.2794 |
| logSw: | -2.7627 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.111 |
| InChI Key: | YYQQBMBLRQUGBK-UHFFFAOYSA-N |