2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2-chloro-6-fluorophenyl)methylidene]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'-[(2-chloro-6-fluorophenyl)methylidene]acetohydrazide
2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2-chloro-6-fluorophenyl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | 2357-3322 |
| Compound Name: | 2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2-chloro-6-fluorophenyl)methylidene]acetohydrazide |
| Molecular Weight: | 522.82 |
| Molecular Formula: | C21 H18 Br Cl F N5 O S |
| Smiles: | CC(=C)Cn1c(c2ccc(cc2)[Br])nnc1SCC(N/N=C/c1c(cccc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0546 |
| logD: | 6.041 |
| logSw: | -6.0939 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.615 |
| InChI Key: | HKMBAEROWJLYOK-UHFFFAOYSA-N |