N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{2-[(2,5-dichlorophenyl)-N-methylcarbamamido]ethyl}-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{2-[(2,5-dichlorophenyl)-N-methylcarbamamido]ethyl}-1,2,4-oxadiazole-5-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{2-[(2,5-dichlorophenyl)-N-methylcarbamamido]ethyl}-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | L080-0438 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{2-[(2,5-dichlorophenyl)-N-methylcarbamamido]ethyl}-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 492.32 |
| Molecular Formula: | C21 H19 Cl2 N5 O5 |
| Smiles: | CN(CCc1nc(C(NCc2ccc3c(c2)OCO3)=O)on1)C(Nc1cc(ccc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6386 |
| logD: | 3.6365 |
| logSw: | -4.0962 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.959 |
| InChI Key: | KAHSYZXXCQZICL-UHFFFAOYSA-N |