N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{2-[(3,4-dimethylphenyl)-N-methylcarbamamido]ethyl}-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{2-[(3,4-dimethylphenyl)-N-methylcarbamamido]ethyl}-1,2,4-oxadiazole-5-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{2-[(3,4-dimethylphenyl)-N-methylcarbamamido]ethyl}-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | L080-0404 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{2-[(3,4-dimethylphenyl)-N-methylcarbamamido]ethyl}-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 451.48 |
| Molecular Formula: | C23 H25 N5 O5 |
| Smiles: | Cc1ccc(cc1C)NC(N(C)CCc1nc(C(NCc2ccc3c(c2)OCO3)=O)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3724 |
| logD: | 3.3724 |
| logSw: | -3.4765 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.656 |
| InChI Key: | HMFGZNDHYKLURQ-UHFFFAOYSA-N |