tert-butyl {[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
tert-butyl {[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
tert-butyl {[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V010-6967 |
| Compound Name: | tert-butyl {[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C22 H25 N3 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(c2ccc(cc2)OC)nnc1SCC(=O)OC(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.2647 |
| logD: | 5.2646 |
| logSw: | -5.0926 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.495 |
| InChI Key: | ONULMOZAGHRGFW-UHFFFAOYSA-N |