3-(2H-1,3-benzodioxol-5-yl)-5-{1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}-1,2,4-oxadiazole
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-5-{1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}-1,2,4-oxadiazole
3-(2H-1,3-benzodioxol-5-yl)-5-{1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | S333-0062 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-5-{1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}-1,2,4-oxadiazole |
| Molecular Weight: | 359.38 |
| Molecular Formula: | C21 H17 N3 O3 |
| Smiles: | Cc1cccc(Cn2cccc2c2nc(c3ccc4c(c3)OCO4)no2)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.6212 |
| logD: | 5.6212 |
| logSw: | -5.5512 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.349 |
| InChI Key: | UVNBGQDBVOIKAR-UHFFFAOYSA-N |