5-(benzylsulfanyl)-3-(furan-2-yl)-1-(4-methylbenzene-1-sulfonyl)-1H-1,2,4-triazole
Chemical Structure Depiction of
5-(benzylsulfanyl)-3-(furan-2-yl)-1-(4-methylbenzene-1-sulfonyl)-1H-1,2,4-triazole
5-(benzylsulfanyl)-3-(furan-2-yl)-1-(4-methylbenzene-1-sulfonyl)-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | 6529-0290 |
| Compound Name: | 5-(benzylsulfanyl)-3-(furan-2-yl)-1-(4-methylbenzene-1-sulfonyl)-1H-1,2,4-triazole |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C20 H17 N3 O3 S2 |
| Smiles: | Cc1ccc(cc1)S(n1c(nc(c2ccco2)n1)SCc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4316 |
| logD: | 4.4316 |
| logSw: | -4.3928 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.98 |
| InChI Key: | VHHXISOGUDXKOB-UHFFFAOYSA-N |