tert-butyl {[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
tert-butyl {[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
tert-butyl {[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V011-1070 |
| Compound Name: | tert-butyl {[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 395.52 |
| Molecular Formula: | C22 H25 N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(Cc2ccccc2)nnc1SCC(=O)OC(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.9795 |
| logD: | 4.9795 |
| logSw: | -4.7502 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.229 |
| InChI Key: | OTCYTAAKADJDDH-UHFFFAOYSA-N |