N-{2-[5-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-1,2,4-oxadiazol-3-yl]ethyl}-N,3-dimethylbenzamide
Chemical Structure Depiction of
N-{2-[5-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-1,2,4-oxadiazol-3-yl]ethyl}-N,3-dimethylbenzamide
N-{2-[5-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-1,2,4-oxadiazol-3-yl]ethyl}-N,3-dimethylbenzamide
Compound characteristics
| Compound ID: | L084-0493 |
| Compound Name: | N-{2-[5-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-1,2,4-oxadiazol-3-yl]ethyl}-N,3-dimethylbenzamide |
| Molecular Weight: | 498.54 |
| Molecular Formula: | C28 H26 N4 O5 |
| Smiles: | Cc1cccc(c1)C(N(C)CCc1nc(c2ccc(cc2)C(NCc2ccc3c(c2)OCO3)=O)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6612 |
| logD: | 3.6612 |
| logSw: | -3.851 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.564 |
| InChI Key: | IEINQMMTKWTSQI-UHFFFAOYSA-N |