2-{4-[(2-{1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbonyl}hydrazinylidene)methyl]phenoxy}acetamide
Chemical Structure Depiction of
2-{4-[(2-{1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbonyl}hydrazinylidene)methyl]phenoxy}acetamide
2-{4-[(2-{1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbonyl}hydrazinylidene)methyl]phenoxy}acetamide
Compound characteristics
| Compound ID: | 6190-0074 |
| Compound Name: | 2-{4-[(2-{1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbonyl}hydrazinylidene)methyl]phenoxy}acetamide |
| Molecular Weight: | 493.5 |
| Molecular Formula: | C21 H19 N9 O4 S |
| Smiles: | C(C(N)=O)Oc1ccc(\C=N/NC(c2c(CSc3ccccc3)n(c3c(N)non3)nn2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.4939 |
| logD: | 1.475 |
| logSw: | -2.2676 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 158.771 |
| InChI Key: | CESJLSFAZCGYHM-UHFFFAOYSA-N |