2-({5-[(4-iodoanilino)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-[(4-iodoanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(pyridin-4-yl)methylidene]acetohydrazide
2-({5-[(4-iodoanilino)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: | Y500-6230 |
| Compound Name: | 2-({5-[(4-iodoanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(pyridin-4-yl)methylidene]acetohydrazide |
| Molecular Weight: | 533.39 |
| Molecular Formula: | C20 H20 I N7 O S |
| Smiles: | C=CCn1c(CNc2ccc(cc2)I)nnc1SCC(N/N=C/c1ccncc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3369 |
| logD: | 3.3362 |
| logSw: | -3.4469 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.504 |
| InChI Key: | NEKQDSGVCTYJGG-UHFFFAOYSA-N |