3-(3,4-dimethoxyphenyl)-5-(5-{[(3-methylphenyl)methanesulfonyl]methyl}furan-2-yl)-1,2,4-oxadiazole
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-5-(5-{[(3-methylphenyl)methanesulfonyl]methyl}furan-2-yl)-1,2,4-oxadiazole
3-(3,4-dimethoxyphenyl)-5-(5-{[(3-methylphenyl)methanesulfonyl]methyl}furan-2-yl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | F838-0525 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-5-(5-{[(3-methylphenyl)methanesulfonyl]methyl}furan-2-yl)-1,2,4-oxadiazole |
| Molecular Weight: | 454.5 |
| Molecular Formula: | C23 H22 N2 O6 S |
| Smiles: | Cc1cccc(CS(Cc2ccc(c3nc(c4ccc(c(c4)OC)OC)no3)o2)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.6387 |
| logD: | 4.6387 |
| logSw: | -4.612 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.775 |
| InChI Key: | MRQJDEQBLRFDQO-UHFFFAOYSA-N |