| MolName | furan-2-ylmethyl (Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoate |
| MolecularFormula | C22H17NO6 |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C/c(cc1)cc2c1OCO2)OCc1ccco1 |
| InChI | InChI=1S/C22H17NO6/c24-21(16-5-2-1-3-6-16)23-18(22(25)27-13-17-7-4-10-26-17)11-15-8-9-19-20(12-15)29-14-28-19/h1-12H,13-14H2,(H,23,24) |
| InChIK | QXOCMZBRUDSTFY-UHFFFAOYSA-N |
| TotalMolweight | 391.378 |
| Molweight | 391.378 |
| MonoisotopicMass | 391.105589 |
| CLogP | 3.9075 |
| CLogS | -5.218 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 298.16 |
| Relative PSA | 0.27385 |
| PolarSurfaceArea | 87 |
| Druglikeness | 2.2359 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - furan-2-ylmethyl (Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoate | 2 - furan-2-ylmethyl (Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoate