3-[2-(3-chloro-4-nitrobenzoyl)hydrazinylidene]-N-(2-methyl-5-nitrophenyl)butanamide
Chemical Structure Depiction of
3-[2-(3-chloro-4-nitrobenzoyl)hydrazinylidene]-N-(2-methyl-5-nitrophenyl)butanamide
3-[2-(3-chloro-4-nitrobenzoyl)hydrazinylidene]-N-(2-methyl-5-nitrophenyl)butanamide
Compound characteristics
| Compound ID: | 8004-0007 |
| Compound Name: | 3-[2-(3-chloro-4-nitrobenzoyl)hydrazinylidene]-N-(2-methyl-5-nitrophenyl)butanamide |
| Molecular Weight: | 433.81 |
| Molecular Formula: | C18 H16 Cl N5 O6 |
| Smiles: | C\C(CC(Nc1cc(ccc1C)[N+]([O-])=O)=O)=N/NC(c1ccc(c(c1)[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8131 |
| logD: | 2.7161 |
| logSw: | -3.6212 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 123.837 |
| InChI Key: | CFPWSGURHKNHEX-UHFFFAOYSA-N |