2-{[3-chloro-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}aniline
Chemical Structure Depiction of
2-{[3-chloro-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}aniline
2-{[3-chloro-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}aniline
Compound characteristics
| Compound ID: | L150-0029 |
| Compound Name: | 2-{[3-chloro-1-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}aniline |
| Molecular Weight: | 330.84 |
| Molecular Formula: | C16 H15 Cl N4 S |
| Smiles: | C(Cn1c(nc(n1)[Cl])Sc1ccccc1N)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8031 |
| logD: | 3.8031 |
| logSw: | -4.2658 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 44.143 |
| InChI Key: | JSDQUYLYYMUXJJ-UHFFFAOYSA-N |