3-[3-({[5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)propanamide
Chemical Structure Depiction of
3-[3-({[5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)propanamide
3-[3-({[5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)propanamide
Compound characteristics
| Compound ID: | J021-2136 |
| Compound Name: | 3-[3-({[5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)propanamide |
| Molecular Weight: | 479.47 |
| Molecular Formula: | C21 H17 N7 O5 S |
| Smiles: | CN1C(c2ccc(cc2C1=O)NC(CCc1nc(CSc2nnc(c3ccco3)[nH]2)no1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5922 |
| logD: | 0.0472 |
| logSw: | -2.5744 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 125.825 |
| InChI Key: | TUXJILALWXYNGJ-UHFFFAOYSA-N |