1-(3-bromo-4-methoxyphenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(3-bromo-4-methoxyphenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(3-bromo-4-methoxyphenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | D396-0051 |
| Compound Name: | 1-(3-bromo-4-methoxyphenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 342.21 |
| Molecular Formula: | C12 H12 Br N3 O2 S |
| Smiles: | Cc1nnc([nH]1)SCC(c1ccc(c(c1)[Br])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0899 |
| logD: | 1.6588 |
| logSw: | -2.8129 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.236 |
| InChI Key: | ZOVPZPCEFNOHBA-UHFFFAOYSA-N |