2-{[5-(3-bromophenyl)-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-(3-bromophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(pyridin-4-yl)methylidene]acetohydrazide
2-{[5-(3-bromophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(pyridin-4-yl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | Y500-6066 |
| Compound Name: | 2-{[5-(3-bromophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(pyridin-4-yl)methylidene]acetohydrazide |
| Molecular Weight: | 457.35 |
| Molecular Formula: | C19 H17 Br N6 O S |
| Smiles: | C=CCn1c(c2cccc(c2)[Br])nnc1SCC(N/N=C/c1ccncc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5546 |
| logD: | 3.554 |
| logSw: | -3.6345 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.021 |
| InChI Key: | OTDJARLDAUFQPT-UHFFFAOYSA-N |