2-{4-[1-(2-{1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbonyl}hydrazinylidene)ethyl]phenoxy}acetamide
Chemical Structure Depiction of
2-{4-[1-(2-{1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbonyl}hydrazinylidene)ethyl]phenoxy}acetamide
2-{4-[1-(2-{1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbonyl}hydrazinylidene)ethyl]phenoxy}acetamide
Compound characteristics
| Compound ID: | 6190-0075 |
| Compound Name: | 2-{4-[1-(2-{1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbonyl}hydrazinylidene)ethyl]phenoxy}acetamide |
| Molecular Weight: | 507.53 |
| Molecular Formula: | C22 H21 N9 O4 S |
| Smiles: | C/C(c1ccc(cc1)OCC(N)=O)=N/NC(c1c(CSc2ccccc2)n(c2c(N)non2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7585 |
| logD: | 1.7263 |
| logSw: | -2.404 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 158.058 |
| InChI Key: | QKZJXXGPWVEGBT-UHFFFAOYSA-N |