N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-3-[3-({[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide
Chemical Structure Depiction of
N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-3-[3-({[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide
N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-3-[3-({[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide
Compound characteristics
| Compound ID: | J021-3681 |
| Compound Name: | N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-3-[3-({[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide |
| Molecular Weight: | 490.5 |
| Molecular Formula: | C22 H18 N8 O4 S |
| Smiles: | CN1C(c2ccc(cc2C1=O)NC(CCc1nc(CSc2nnc(c3cccnc3)[nH]2)no1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2374 |
| logD: | 0.1113 |
| logSw: | -2.0289 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 126.765 |
| InChI Key: | RCNZVLGFMCWVEF-UHFFFAOYSA-N |