5-(5-{[2-(4-amino-4H-1,2,4-triazol-3-yl)hydrazinylidene]methyl}furan-2-yl)-2-chlorobenzoic acid--hydrogen chloride (1/2)
Chemical Structure Depiction of
5-(5-{[2-(4-amino-4H-1,2,4-triazol-3-yl)hydrazinylidene]methyl}furan-2-yl)-2-chlorobenzoic acid--hydrogen chloride (1/2)
5-(5-{[2-(4-amino-4H-1,2,4-triazol-3-yl)hydrazinylidene]methyl}furan-2-yl)-2-chlorobenzoic acid--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | 8008-9023 |
| Compound Name: | 5-(5-{[2-(4-amino-4H-1,2,4-triazol-3-yl)hydrazinylidene]methyl}furan-2-yl)-2-chlorobenzoic acid--hydrogen chloride (1/2) |
| Molecular Weight: | 419.65 |
| Molecular Formula: | C14 H11 Cl N6 O3 |
| Salt: | 2HCl |
| Smiles: | C(\c1ccc(c2ccc(c(c2)C(O)=O)[Cl])o1)=N/Nc1nncn1N |
| Stereo: | ACHIRAL |
| logP: | 2.3576 |
| logD: | -2.0727 |
| logSw: | -3.328 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 101.298 |
| InChI Key: | ADKOVYRJJLDMFK-UBKPWBPPSA-N |