1-(3-bromo-4-methoxyphenyl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(3-bromo-4-methoxyphenyl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(3-bromo-4-methoxyphenyl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | D396-0050 |
| Compound Name: | 1-(3-bromo-4-methoxyphenyl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 328.18 |
| Molecular Formula: | C11 H10 Br N3 O2 S |
| Smiles: | COc1ccc(cc1[Br])C(CSc1nnc[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7395 |
| logD: | 1.3742 |
| logSw: | -2.4233 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.27 |
| InChI Key: | SXVAJTHQTLEVRG-UHFFFAOYSA-N |