methyl 5-[({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-[({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]furan-2-carboxylate
methyl 5-[({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]furan-2-carboxylate
Compound characteristics
| Compound ID: | S322-0136 |
| Compound Name: | methyl 5-[({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]furan-2-carboxylate |
| Molecular Weight: | 508.57 |
| Molecular Formula: | C24 H20 N4 O5 S2 |
| Smiles: | Cn1c(c2cn(c3ccccc23)S(c2ccccc2)(=O)=O)nnc1SCc1ccc(C(=O)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.1094 |
| logD: | 4.1094 |
| logSw: | -4.1761 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.059 |
| InChI Key: | IRJHXUOLCWRUTH-UHFFFAOYSA-N |