5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D151-0478 |
| Compound Name: | 5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 405.41 |
| Molecular Formula: | C22 H19 N3 O5 |
| Smiles: | COc1ccc(/C=C/c2nc(C#N)c(NCc3ccc4c(c3)OCO4)o2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.6225 |
| logD: | 3.6225 |
| logSw: | -3.8562 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.32 |
| InChI Key: | AGCMOANHTLMOPP-UHFFFAOYSA-N |