tert-butyl {[5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
tert-butyl {[5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
tert-butyl {[5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V001-5324 |
| Compound Name: | tert-butyl {[5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 395.52 |
| Molecular Formula: | C22 H25 N3 O2 S |
| Smiles: | Cc1ccc(cc1)n1c(c2cccc(C)c2)nnc1SCC(=O)OC(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.716 |
| logD: | 5.7159 |
| logSw: | -5.3927 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.252 |
| InChI Key: | PBWUTWQWZKUIEA-UHFFFAOYSA-N |