3-{[(4-bromophenyl)methyl]sulfanyl}-4-ethyl-5-(3-methoxyphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-bromophenyl)methyl]sulfanyl}-4-ethyl-5-(3-methoxyphenyl)-4H-1,2,4-triazole
3-{[(4-bromophenyl)methyl]sulfanyl}-4-ethyl-5-(3-methoxyphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y206-7301 |
| Compound Name: | 3-{[(4-bromophenyl)methyl]sulfanyl}-4-ethyl-5-(3-methoxyphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 404.33 |
| Molecular Formula: | C18 H18 Br N3 O S |
| Smiles: | CCn1c(c2cccc(c2)OC)nnc1SCc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.0482 |
| logD: | 5.0482 |
| logSw: | -4.7871 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.5093 |
| InChI Key: | KHLLQUCPWJWTIV-UHFFFAOYSA-N |