2-[6-(2,3,4-trimethoxyphenyl)-1,3-benzoxazol-2-yl]benzonitrile
Chemical Structure Depiction of
2-[6-(2,3,4-trimethoxyphenyl)-1,3-benzoxazol-2-yl]benzonitrile
2-[6-(2,3,4-trimethoxyphenyl)-1,3-benzoxazol-2-yl]benzonitrile
Compound characteristics
| Compound ID: | V016-8775 |
| Compound Name: | 2-[6-(2,3,4-trimethoxyphenyl)-1,3-benzoxazol-2-yl]benzonitrile |
| Molecular Weight: | 386.41 |
| Molecular Formula: | C23 H18 N2 O4 |
| Smiles: | COc1ccc(c2ccc3c(c2)oc(c2ccccc2C#N)n3)c(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.5008 |
| logD: | 4.5008 |
| logSw: | -4.5102 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.898 |
| InChI Key: | FPFIEERBSFXOFY-UHFFFAOYSA-N |