N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{2-[(2-chloro-4-methylphenyl)-N-methylcarbamamido]ethyl}-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{2-[(2-chloro-4-methylphenyl)-N-methylcarbamamido]ethyl}-1,2,4-oxadiazole-5-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{2-[(2-chloro-4-methylphenyl)-N-methylcarbamamido]ethyl}-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | L080-0407 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{2-[(2-chloro-4-methylphenyl)-N-methylcarbamamido]ethyl}-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 471.9 |
| Molecular Formula: | C22 H22 Cl N5 O5 |
| Smiles: | Cc1ccc(c(c1)[Cl])NC(N(C)CCc1nc(C(NCc2ccc3c(c2)OCO3)=O)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5049 |
| logD: | 3.5048 |
| logSw: | -3.8928 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.959 |
| InChI Key: | HNIGDXCZIFZAPE-UHFFFAOYSA-N |