2-({5-[(4-methylanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(3-nitrophenyl)methylidene]propanehydrazide
Chemical Structure Depiction of
2-({5-[(4-methylanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(3-nitrophenyl)methylidene]propanehydrazide
2-({5-[(4-methylanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(3-nitrophenyl)methylidene]propanehydrazide
Compound characteristics
| Compound ID: | Y508-3463 |
| Compound Name: | 2-({5-[(4-methylanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(3-nitrophenyl)methylidene]propanehydrazide |
| Molecular Weight: | 479.56 |
| Molecular Formula: | C23 H25 N7 O3 S |
| Smiles: | CC(C(N/N=C/c1cccc(c1)[N+]([O-])=O)=O)Sc1nnc(CNc2ccc(C)cc2)n1CC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3813 |
| logD: | 4.3807 |
| logSw: | -4.2903 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.67 |
| InChI Key: | QRGZLYRCKYLXJV-KRWDZBQOSA-N |