tert-butyl {[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
tert-butyl {[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
tert-butyl {[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V008-4942 |
| Compound Name: | tert-butyl {[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 419.9 |
| Molecular Formula: | C20 H19 Cl F N3 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)OC(CSc1nnc(c2ccccc2[Cl])n1c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1085 |
| logD: | 5.1085 |
| logSw: | -5.3237 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.951 |
| InChI Key: | CIKYEEVZAOVLSB-UHFFFAOYSA-N |