tert-butyl {[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
tert-butyl {[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
tert-butyl {[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
Compound ID: | V002-8595 |
Compound Name: | tert-butyl {[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
Molecular Weight: | 381.5 |
Molecular Formula: | C21 H23 N3 O2 S |
Salt: | not_available |
Smiles: | Cc1ccccc1c1nnc(n1c1ccccc1)SCC(=O)OC(C)(C)C |
Stereo: | ACHIRAL |
logP: | 4.8851 |
logD: | 4.885 |
logSw: | -4.6592 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 44.252 |
InChI Key: | AWTDVCGUGBGDMJ-UHFFFAOYSA-N |