2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-(3-phenylprop-2-en-1-ylidene)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'-(3-phenylprop-2-en-1-ylidene)acetohydrazide
2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-(3-phenylprop-2-en-1-ylidene)acetohydrazide
Compound characteristics
| Compound ID: | 2357-3371 |
| Compound Name: | 2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-(3-phenylprop-2-en-1-ylidene)acetohydrazide |
| Molecular Weight: | 496.43 |
| Molecular Formula: | C23 H22 Br N5 O S |
| Smiles: | CC(=C)Cn1c(c2ccc(cc2)[Br])nnc1SCC(N/N=C/C=C/c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6415 |
| logD: | 5.6412 |
| logSw: | -5.5337 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.246 |
| InChI Key: | VUPKSIPRNIXBRW-UHFFFAOYSA-N |