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 |