3-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
Chemical Structure Depiction of
3-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
3-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | 8009-3025 |
| Compound Name: | 3-(6-bromo-2H-1,3-benzodioxol-5-yl)-2-cyano-N-(4-methoxyphenyl)prop-2-enamide |
| Molecular Weight: | 401.21 |
| Molecular Formula: | C18 H13 Br N2 O4 |
| Smiles: | COc1ccc(cc1)NC(C(=C\c1cc2c(cc1[Br])OCO2)\C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7914 |
| logD: | 3.7688 |
| logSw: | -4.2322 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.045 |
| InChI Key: | POQZFZOFJIQSKR-UHFFFAOYSA-N |