2-[(2-{1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dipropylamino)methyl]-1H-1,2,3-triazole-4-carbonyl}hydrazinylidene)methyl]benzoic acid
Chemical Structure Depiction of
2-[(2-{1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dipropylamino)methyl]-1H-1,2,3-triazole-4-carbonyl}hydrazinylidene)methyl]benzoic acid
2-[(2-{1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dipropylamino)methyl]-1H-1,2,3-triazole-4-carbonyl}hydrazinylidene)methyl]benzoic acid
Compound characteristics
| Compound ID: | 6011-0736 |
| Compound Name: | 2-[(2-{1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dipropylamino)methyl]-1H-1,2,3-triazole-4-carbonyl}hydrazinylidene)methyl]benzoic acid |
| Molecular Weight: | 455.48 |
| Molecular Formula: | C20 H25 N9 O4 |
| Smiles: | CCCN(CCC)Cc1c(C(N/N=C/c2ccccc2C(O)=O)=O)nnn1c1c(N)non1 |
| Stereo: | ACHIRAL |
| logP: | 2.3716 |
| logD: | 2.3716 |
| logSw: | -2.8207 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 150.503 |
| InChI Key: | DGHFZSLSIKOANG-UHFFFAOYSA-N |