2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one
2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | F235-1939 |
| Compound Name: | 2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 458.38 |
| Molecular Formula: | C21 H20 Br N3 O2 S |
| Smiles: | CC(=C)Cn1c(c2ccc(cc2)[Br])nnc1SCC(c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5632 |
| logD: | 5.5632 |
| logSw: | -5.3996 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.032 |
| InChI Key: | NPEMQCZHISESDA-UHFFFAOYSA-N |