tert-butyl {[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
tert-butyl {[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
tert-butyl {[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V007-9717 |
| Compound Name: | tert-butyl {[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 431.94 |
| Molecular Formula: | C21 H22 Cl N3 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)OC(CSc1nnc(c2ccccc2[Cl])n1c1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9318 |
| logD: | 4.9315 |
| logSw: | -4.9326 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.582 |
| InChI Key: | UWAVXUGPKASAQC-UHFFFAOYSA-N |