N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V003-0961 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 516.51 |
| Molecular Formula: | C28 H24 N2 O8 |
| Smiles: | COc1ccc(c(c1)OC)c1cc(CN(Cc2ccc3c(c2)OCO3)C(c2ccc3c(c2)OCO3)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.4011 |
| logD: | 4.4011 |
| logSw: | -4.3792 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.614 |
| InChI Key: | JQLQLLBFXVWZSA-UHFFFAOYSA-N |