tert-butyl {[5-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
tert-butyl {[5-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
tert-butyl {[5-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V030-7578 |
| Compound Name: | tert-butyl {[5-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 470.8 |
| Molecular Formula: | C20 H18 Cl3 N3 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)OC(CSc1nnc(c2ccccc2[Cl])n1c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.4632 |
| logD: | 6.4632 |
| logSw: | -6.1335 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.252 |
| InChI Key: | UUKZMZNLPNDBTA-UHFFFAOYSA-N |