N-{3-(2H-1,3-benzodioxol-5-yl)-2-[(furan-2-carbonyl)amino]prop-2-enoyl}valine
Chemical Structure Depiction of
N-{3-(2H-1,3-benzodioxol-5-yl)-2-[(furan-2-carbonyl)amino]prop-2-enoyl}valine
N-{3-(2H-1,3-benzodioxol-5-yl)-2-[(furan-2-carbonyl)amino]prop-2-enoyl}valine
Compound characteristics
| Compound ID: | 3379-2625 |
| Compound Name: | N-{3-(2H-1,3-benzodioxol-5-yl)-2-[(furan-2-carbonyl)amino]prop-2-enoyl}valine |
| Molecular Weight: | 400.39 |
| Molecular Formula: | C20 H20 N2 O7 |
| Smiles: | CC(C)C(C(O)=O)NC(/C(=C/c1ccc2c(c1)OCO2)NC(c1ccco1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9926 |
| logD: | -2.3435 |
| logSw: | -1.8772 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.302 |
| InChI Key: | YEARSOVZWZNBTD-KRWDZBQOSA-N |