3-(2H-1,3-benzodioxol-5-yl)-5-(5-{[(3-methylphenyl)methanesulfonyl]methyl}furan-2-yl)-1,2,4-oxadiazole
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-5-(5-{[(3-methylphenyl)methanesulfonyl]methyl}furan-2-yl)-1,2,4-oxadiazole
3-(2H-1,3-benzodioxol-5-yl)-5-(5-{[(3-methylphenyl)methanesulfonyl]methyl}furan-2-yl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | F838-0515 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-5-(5-{[(3-methylphenyl)methanesulfonyl]methyl}furan-2-yl)-1,2,4-oxadiazole |
| Molecular Weight: | 438.46 |
| Molecular Formula: | C22 H18 N2 O6 S |
| Smiles: | Cc1cccc(CS(Cc2ccc(c3nc(c4ccc5c(c4)OCO5)no3)o2)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.9369 |
| logD: | 4.9369 |
| logSw: | -4.79 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 84.63 |
| InChI Key: | BSAGYAYFMKRSAO-UHFFFAOYSA-N |