3-[3-({[5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-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-(5-methyl-1,2-oxazol-3-yl)propanamide
3-[3-({[5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
Compound characteristics
| Compound ID: | J021-2553 |
| Compound Name: | 3-[3-({[5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide |
| Molecular Weight: | 401.4 |
| Molecular Formula: | C16 H15 N7 O4 S |
| Smiles: | Cc1cc(NC(CCc2nc(CSc3nnc(c4ccco4)[nH]3)no2)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 1.4443 |
| logD: | -0.1007 |
| logSw: | -2.3977 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 118.33 |
| InChI Key: | GPKYPFLDYQGQJG-UHFFFAOYSA-N |