1-(4-chlorophenyl)-2-{[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-2-{[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(4-chlorophenyl)-2-{[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | V002-8572 |
| Compound Name: | 1-(4-chlorophenyl)-2-{[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 413.86 |
| Molecular Formula: | C20 H13 Cl F N3 O2 S |
| Salt: | not_available |
| Smiles: | C(C(c1ccc(cc1)[Cl])=O)Sc1nnc(c2ccco2)n1c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 4.488 |
| logD: | 4.488 |
| logSw: | -4.7842 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.538 |
| InChI Key: | GZNKIKNTQQCQGF-UHFFFAOYSA-N |