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 |