2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]aniline
Chemical Structure Depiction of
2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]aniline
2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]aniline
Compound characteristics
| Compound ID: | C301-9285 |
| Compound Name: | 2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]aniline |
| Molecular Weight: | 316.81 |
| Molecular Formula: | C15 H13 Cl N4 S |
| Smiles: | C(c1ccccc1)n1c(nc(n1)[Cl])Sc1ccccc1N |
| Stereo: | ACHIRAL |
| logP: | 3.5741 |
| logD: | 3.5741 |
| logSw: | -3.6965 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 44.165 |
| InChI Key: | MBCAQANNPPTMTH-UHFFFAOYSA-N |