methyl 4-{[2-({[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[2-({[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate
methyl 4-{[2-({[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate
Compound characteristics
| Compound ID: | 2357-3328 |
| Compound Name: | methyl 4-{[2-({[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate |
| Molecular Weight: | 528.43 |
| Molecular Formula: | C23 H22 Br N5 O3 S |
| Smiles: | CC(=C)Cn1c(c2ccc(cc2)[Br])nnc1SCC(N/N=C/c1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3683 |
| logD: | 5.3681 |
| logSw: | -5.4415 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.788 |
| InChI Key: | PYPOWVJRDYPLRF-UHFFFAOYSA-N |