3-(2H-1,3-benzodioxol-5-yl)-2-(3-methylbenzamido)prop-2-enoic acid
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-2-(3-methylbenzamido)prop-2-enoic acid
3-(2H-1,3-benzodioxol-5-yl)-2-(3-methylbenzamido)prop-2-enoic acid
Compound characteristics
| Compound ID: | 4136-0471 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-2-(3-methylbenzamido)prop-2-enoic acid |
| Molecular Weight: | 325.32 |
| Molecular Formula: | C18 H15 N O5 |
| Smiles: | Cc1cccc(c1)C(NC(=C\c1ccc2c(c1)OCO2)\C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7571 |
| logD: | -1.3443 |
| logSw: | -3.0435 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.687 |
| InChI Key: | QZZZMGLZACQVGX-UHFFFAOYSA-N |