tert-butyl {[5-(2-fluorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
tert-butyl {[5-(2-fluorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
tert-butyl {[5-(2-fluorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V009-4406 |
| Compound Name: | tert-butyl {[5-(2-fluorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C21 H22 F N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(c2ccccc2F)nnc1SCC(=O)OC(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.0544 |
| logD: | 5.0544 |
| logSw: | -4.6875 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.951 |
| InChI Key: | JAWYLEAEMQUBGQ-UHFFFAOYSA-N |