N-{3-(2H-1,3-benzodioxol-5-yl)-2-[(furan-2-carbonyl)amino]prop-2-enoyl}-beta-alanine
Chemical Structure Depiction of
N-{3-(2H-1,3-benzodioxol-5-yl)-2-[(furan-2-carbonyl)amino]prop-2-enoyl}-beta-alanine
N-{3-(2H-1,3-benzodioxol-5-yl)-2-[(furan-2-carbonyl)amino]prop-2-enoyl}-beta-alanine
Compound characteristics
| Compound ID: | 5622-0076 |
| Compound Name: | N-{3-(2H-1,3-benzodioxol-5-yl)-2-[(furan-2-carbonyl)amino]prop-2-enoyl}-beta-alanine |
| Molecular Weight: | 372.33 |
| Molecular Formula: | C18 H16 N2 O7 |
| Smiles: | C(CNC(/C(=C/c1ccc2c(c1)OCO2)NC(c1ccco1)=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5783 |
| logD: | -2.1174 |
| logSw: | -1.6784 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.767 |
| InChI Key: | XJVSHEQNOGTBED-UHFFFAOYSA-N |