2-{[4-amino-5-(2-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
2-{[4-amino-5-(2-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one
2-{[4-amino-5-(2-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | Y502-6054 |
| Compound Name: | 2-{[4-amino-5-(2-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 419.3 |
| Molecular Formula: | C17 H15 Br N4 O2 S |
| Smiles: | COc1ccc(cc1)C(CSc1nnc(c2ccccc2[Br])n1N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7485 |
| logD: | 2.7485 |
| logSw: | -3.3236 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.93 |
| InChI Key: | CFESDWOAVJJQIO-UHFFFAOYSA-N |