3-[(4-methylbenzene-1-sulfonyl)methyl]-5-{3-[(4-methylbenzene-1-sulfonyl)methyl]phenyl}-1,2,4-oxadiazole
Chemical Structure Depiction of
3-[(4-methylbenzene-1-sulfonyl)methyl]-5-{3-[(4-methylbenzene-1-sulfonyl)methyl]phenyl}-1,2,4-oxadiazole
3-[(4-methylbenzene-1-sulfonyl)methyl]-5-{3-[(4-methylbenzene-1-sulfonyl)methyl]phenyl}-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | M354-0060 |
| Compound Name: | 3-[(4-methylbenzene-1-sulfonyl)methyl]-5-{3-[(4-methylbenzene-1-sulfonyl)methyl]phenyl}-1,2,4-oxadiazole |
| Molecular Weight: | 482.58 |
| Molecular Formula: | C24 H22 N2 O5 S2 |
| Smiles: | Cc1ccc(cc1)S(Cc1cccc(c1)c1nc(CS(c2ccc(C)cc2)(=O)=O)no1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3007 |
| logD: | 4.3007 |
| logSw: | -4.427 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 90.436 |
| InChI Key: | GSSGVWARYNKLKM-UHFFFAOYSA-N |