1-(5-bromothiophen-2-yl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(5-bromothiophen-2-yl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(5-bromothiophen-2-yl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8018-3652 |
| Compound Name: | 1-(5-bromothiophen-2-yl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 486.41 |
| Molecular Formula: | C21 H16 Br N3 O2 S2 |
| Smiles: | COc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(c1ccc(s1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7034 |
| logD: | 5.7034 |
| logSw: | -5.5553 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.522 |
| InChI Key: | MITJOBQDNUXSGF-UHFFFAOYSA-N |