N-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-3-[3-({[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide
N-(3,4-dimethylphenyl)-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: | J021-3718 |
| Compound Name: | N-(3,4-dimethylphenyl)-3-[3-({[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide |
| Molecular Weight: | 435.51 |
| Molecular Formula: | C21 H21 N7 O2 S |
| Smiles: | Cc1ccc(cc1C)NC(CCc1nc(CSc2nnc(c3cccnc3)[nH]2)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7026 |
| logD: | 1.5765 |
| logSw: | -2.782 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.475 |
| InChI Key: | NYIOARJQVWCMBX-UHFFFAOYSA-N |