2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[1-(3,4-dimethoxyphenyl)ethylidene]acetohydrazide
Chemical Structure Depiction of
2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[1-(3,4-dimethoxyphenyl)ethylidene]acetohydrazide
2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[1-(3,4-dimethoxyphenyl)ethylidene]acetohydrazide
Compound characteristics
| Compound ID: | 2357-3385 |
| Compound Name: | 2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[1-(3,4-dimethoxyphenyl)ethylidene]acetohydrazide |
| Molecular Weight: | 544.47 |
| Molecular Formula: | C24 H26 Br N5 O3 S |
| Smiles: | CC(=C)Cn1c(c2ccc(cc2)[Br])nnc1SCC(N/N=C(/C)c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2617 |
| logD: | 5.2615 |
| logSw: | -5.1066 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.163 |
| InChI Key: | XSRJTKXOCPSZTN-UHFFFAOYSA-N |