2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1-methyl-1H-pyrrol-2-yl)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'-[(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide
2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | 2357-3376 |
| Compound Name: | 2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide |
| Molecular Weight: | 473.39 |
| Molecular Formula: | C20 H21 Br N6 O S |
| Smiles: | CC(=C)Cn1c(c2ccc(cc2)[Br])nnc1SCC(N/N=C/c1cccn1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1004 |
| logD: | 5.1003 |
| logSw: | -4.8034 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.512 |
| InChI Key: | INXNRODXQSHIHH-UHFFFAOYSA-N |