2-({5-[(1H-benzotriazol-1-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-nitrothiophen-2-yl)methylidene]acetohydrazide
Chemical Structure Depiction of
2-({5-[(1H-benzotriazol-1-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-nitrothiophen-2-yl)methylidene]acetohydrazide
2-({5-[(1H-benzotriazol-1-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-nitrothiophen-2-yl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | Y508-3176 |
| Compound Name: | 2-({5-[(1H-benzotriazol-1-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-nitrothiophen-2-yl)methylidene]acetohydrazide |
| Molecular Weight: | 483.53 |
| Molecular Formula: | C19 H17 N9 O3 S2 |
| Smiles: | C=CCn1c(Cn2c3ccccc3nn2)nnc1SCC(N/N=C/c1ccc([N+]([O-])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5153 |
| logD: | 2.5123 |
| logSw: | -2.6046 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 121.018 |
| InChI Key: | UAGAALKUOMJSBR-UHFFFAOYSA-N |