4-[(2-{1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbonyl}hydrazinylidene)methyl]phenyl diethylcarbamate
Chemical Structure Depiction of
4-[(2-{1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbonyl}hydrazinylidene)methyl]phenyl diethylcarbamate
4-[(2-{1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbonyl}hydrazinylidene)methyl]phenyl diethylcarbamate
Compound characteristics
| Compound ID: | 6011-0653 |
| Compound Name: | 4-[(2-{1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbonyl}hydrazinylidene)methyl]phenyl diethylcarbamate |
| Molecular Weight: | 470.49 |
| Molecular Formula: | C20 H26 N10 O4 |
| Smiles: | CCN(CC)C(=O)Oc1ccc(/C=N/NC(c2c(CN(C)C)n(c3c(N)non3)nn2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.3175 |
| logD: | 0.857 |
| logSw: | -2.2498 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 143.923 |
| InChI Key: | QFYMGTLYMTUXML-UHFFFAOYSA-N |