3-(2-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}hydrazinyl)-5-methyl-4H-1,2,4-triazol-4-amine--hydrogen chloride (1/2)
Chemical Structure Depiction of
3-(2-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}hydrazinyl)-5-methyl-4H-1,2,4-triazol-4-amine--hydrogen chloride (1/2)
3-(2-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}hydrazinyl)-5-methyl-4H-1,2,4-triazol-4-amine--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | 8001-7418 |
| Compound Name: | 3-(2-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}hydrazinyl)-5-methyl-4H-1,2,4-triazol-4-amine--hydrogen chloride (1/2) |
| Molecular Weight: | 434.67 |
| Molecular Formula: | C14 H12 Cl N7 O3 |
| Salt: | 2HCl |
| Smiles: | Cc1nnc(N/N=C/c2ccc(c3ccc(cc3[Cl])[N+]([O-])=O)o2)n1N |
| Stereo: | ACHIRAL |
| logP: | 2.5657 |
| logD: | 2.5657 |
| logSw: | -3.7384 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.873 |
| InChI Key: | CKXINTYJRDMQPE-REZTVBANSA-N |