1-(4-chlorophenyl)-2-({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-2-({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
1-(4-chlorophenyl)-2-({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | V003-6882 |
| Compound Name: | 1-(4-chlorophenyl)-2-({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 463.86 |
| Molecular Formula: | C21 H13 Cl F3 N3 O2 S |
| Salt: | not_available |
| Smiles: | C(C(c1ccc(cc1)[Cl])=O)Sc1nnc(c2ccco2)n1c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.2848 |
| logD: | 5.2848 |
| logSw: | -6.1256 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.538 |
| InChI Key: | FSSZHTPTIXHYEB-UHFFFAOYSA-N |