methyl {[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | F235-1992 |
| Compound Name: | methyl {[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 353.44 |
| Molecular Formula: | C19 H19 N3 O2 S |
| Smiles: | Cc1ccc(cc1)n1c(Cc2ccccc2)nnc1SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.4638 |
| logD: | 3.4638 |
| logSw: | -3.6685 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.539 |
| InChI Key: | DZSCTIVOJXNWLP-UHFFFAOYSA-N |