2-{[3-bromo-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}aniline
Chemical Structure Depiction of
2-{[3-bromo-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}aniline
2-{[3-bromo-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}aniline
Compound characteristics
| Compound ID: | L150-0627 |
| Compound Name: | 2-{[3-bromo-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}aniline |
| Molecular Weight: | 375.29 |
| Molecular Formula: | C16 H15 Br N4 S |
| Smiles: | C(Cn1c(nc(n1)[Br])Sc1ccccc1N)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9305 |
| logD: | 3.9305 |
| logSw: | -4.2464 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.11 |
| InChI Key: | RUPPTIWVFPEIMQ-UHFFFAOYSA-N |