2-({5-[(1H-benzotriazol-1-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(pyridin-4-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'-[(pyridin-4-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'-[(pyridin-4-yl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | Y508-8431 |
| Compound Name: | 2-({5-[(1H-benzotriazol-1-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(pyridin-4-yl)methylidene]acetohydrazide |
| Molecular Weight: | 433.49 |
| Molecular Formula: | C20 H19 N9 O S |
| Smiles: | C=CCn1c(Cn2c3ccccc3nn2)nnc1SCC(N/N=C/c1ccncc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1524 |
| logD: | 1.1493 |
| logSw: | -1.9514 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.695 |
| InChI Key: | NYLBFDXSDBENMA-UHFFFAOYSA-N |