3-(2H-1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile
3-(2H-1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 3448-8201 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile |
| Molecular Weight: | 309.32 |
| Molecular Formula: | C18 H15 N O4 |
| Smiles: | COc1ccc(cc1OC)/C(=C/c1ccc2c(c1)OCO2)C#N |
| Stereo: | ACHIRAL |
| logP: | 3.4563 |
| logD: | 3.4563 |
| logSw: | -3.6126 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.399 |
| InChI Key: | RQHQPTASOUIIDK-UHFFFAOYSA-N |