3-[4-(methylsulfanyl)phenyl]-5-{5-[(2,4,5-trimethylbenzene-1-sulfonyl)methyl]furan-2-yl}-1,2,4-oxadiazole
Chemical Structure Depiction of
3-[4-(methylsulfanyl)phenyl]-5-{5-[(2,4,5-trimethylbenzene-1-sulfonyl)methyl]furan-2-yl}-1,2,4-oxadiazole
3-[4-(methylsulfanyl)phenyl]-5-{5-[(2,4,5-trimethylbenzene-1-sulfonyl)methyl]furan-2-yl}-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | F838-0387 |
| Compound Name: | 3-[4-(methylsulfanyl)phenyl]-5-{5-[(2,4,5-trimethylbenzene-1-sulfonyl)methyl]furan-2-yl}-1,2,4-oxadiazole |
| Molecular Weight: | 454.57 |
| Molecular Formula: | C23 H22 N2 O4 S2 |
| Smiles: | Cc1cc(C)c(cc1C)S(Cc1ccc(c2nc(c3ccc(cc3)SC)no2)o1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6998 |
| logD: | 6.6998 |
| logSw: | -5.8197 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.25 |
| InChI Key: | FNRJZNCGNZHFAK-UHFFFAOYSA-N |