[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl 5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl 5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxylate
[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl 5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | F152-0311 |
| Compound Name: | [2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl 5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 529.41 |
| Molecular Formula: | C23 H21 Br N4 O4 S |
| Smiles: | Cc1c(C(=O)OCc2c(C)oc(c3cc(ccc3OC)[Br])n2)nnn1c1cccc(c1)SC |
| Stereo: | ACHIRAL |
| logP: | 4.5408 |
| logD: | 4.5408 |
| logSw: | -4.5575 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.692 |
| InChI Key: | OMBUKVXFQOVHIE-UHFFFAOYSA-N |