2-{[5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one
2-{[5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8415-04017 |
| Compound Name: | 2-{[5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 480.38 |
| Molecular Formula: | C23 H18 Br N3 O2 S |
| Smiles: | COc1ccc(cc1)C(CSc1nnc(c2ccccc2[Br])n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8601 |
| logD: | 4.8601 |
| logSw: | -4.6386 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.503 |
| InChI Key: | VZBZACNVSOVDIM-UHFFFAOYSA-N |