1-(4-bromophenyl)-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(4-bromophenyl)-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(4-bromophenyl)-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8415-04055 |
| Compound Name: | 1-(4-bromophenyl)-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 388.28 |
| Molecular Formula: | C17 H14 Br N3 O S |
| Smiles: | Cn1c(c2ccccc2)nnc1SCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0709 |
| logD: | 4.0709 |
| logSw: | -4.1705 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.298 |
| InChI Key: | IWEAGWUTNAFDSV-UHFFFAOYSA-N |