2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(4-nitrophenyl)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'-[(4-nitrophenyl)methylidene]acetohydrazide
2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(4-nitrophenyl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | 2357-3370 |
| Compound Name: | 2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(4-nitrophenyl)methylidene]acetohydrazide |
| Molecular Weight: | 515.39 |
| Molecular Formula: | C21 H19 Br N6 O3 S |
| Smiles: | CC(=C)Cn1c(c2ccc(cc2)[Br])nnc1SCC(N/N=C/c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2033 |
| logD: | 5.203 |
| logSw: | -5.0602 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.996 |
| InChI Key: | RSTCIHGGARJFAA-UHFFFAOYSA-N |