1-(4-bromophenyl)-2-{[5-{[(4-methylphenyl)sulfanyl]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-bromophenyl)-2-{[5-{[(4-methylphenyl)sulfanyl]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(4-bromophenyl)-2-{[5-{[(4-methylphenyl)sulfanyl]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | G865-0034 |
| Compound Name: | 1-(4-bromophenyl)-2-{[5-{[(4-methylphenyl)sulfanyl]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 474.44 |
| Molecular Formula: | C21 H20 Br N3 O S2 |
| Smiles: | Cc1ccc(cc1)SCc1nnc(n1CC=C)SCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5048 |
| logD: | 5.5048 |
| logSw: | -5.3934 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.442 |
| InChI Key: | JLBCWDKOKHFDEE-UHFFFAOYSA-N |