2-[2-(3,4-dimethoxyphenyl)ethenyl]-5-{[(pyridin-3-yl)methyl]amino}-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-[2-(3,4-dimethoxyphenyl)ethenyl]-5-{[(pyridin-3-yl)methyl]amino}-1,3-oxazole-4-carbonitrile
2-[2-(3,4-dimethoxyphenyl)ethenyl]-5-{[(pyridin-3-yl)methyl]amino}-1,3-oxazole-4-carbonitrile
Compound characteristics
Compound ID: | D151-0475 |
Compound Name: | 2-[2-(3,4-dimethoxyphenyl)ethenyl]-5-{[(pyridin-3-yl)methyl]amino}-1,3-oxazole-4-carbonitrile |
Molecular Weight: | 362.39 |
Molecular Formula: | C20 H18 N4 O3 |
Smiles: | COc1ccc(/C=C/c2nc(C#N)c(NCc3cccnc3)o2)cc1OC |
Stereo: | ACHIRAL |
logP: | 2.4817 |
logD: | 2.4671 |
logSw: | -2.2606 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 70.722 |
InChI Key: | UUDNRTNHBSNBFF-UHFFFAOYSA-N |