2-({3-chloro-1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)aniline
Chemical Structure Depiction of
2-({3-chloro-1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)aniline
2-({3-chloro-1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)aniline
Compound characteristics
| Compound ID: | C301-9514 |
| Compound Name: | 2-({3-chloro-1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)aniline |
| Molecular Weight: | 334.8 |
| Molecular Formula: | C15 H12 Cl F N4 S |
| Smiles: | C(c1ccc(cc1)F)n1c(nc(n1)[Cl])Sc1ccccc1N |
| Stereo: | ACHIRAL |
| logP: | 3.6031 |
| logD: | 3.6031 |
| logSw: | -3.7416 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 44.165 |
| InChI Key: | ZJZYCWGTPHCEKP-UHFFFAOYSA-N |