tert-butyl {[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
tert-butyl {[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
tert-butyl {[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V009-4369 |
| Compound Name: | tert-butyl {[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 415.94 |
| Molecular Formula: | C21 H22 Cl N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(c2ccccc2[Cl])nnc1SCC(=O)OC(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.5783 |
| logD: | 5.5783 |
| logSw: | -5.7689 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.252 |
| InChI Key: | NGQWLUJTCFWTIW-UHFFFAOYSA-N |