tert-butyl {[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
tert-butyl {[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
tert-butyl {[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V014-3978 |
| Compound Name: | tert-butyl {[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 375.42 |
| Molecular Formula: | C18 H18 F N3 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)OC(CSc1nnc(c2ccco2)n1c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9019 |
| logD: | 3.9018 |
| logSw: | -3.9905 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.831 |
| InChI Key: | SDGFEWHAFKCXHG-UHFFFAOYSA-N |