tert-butyl {[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
tert-butyl {[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
tert-butyl {[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V004-7495 |
| Compound Name: | tert-butyl {[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 426.32 |
| Molecular Formula: | C18 H17 Cl2 N3 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)OC(CSc1nnc(c2ccco2)n1c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.181 |
| logD: | 5.181 |
| logSw: | -5.6331 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.831 |
| InChI Key: | XCVWEBXBBHZWTR-UHFFFAOYSA-N |