| MolName | N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]benzamide |
| MolecularFormula | C22H18N2O5 |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C/c(cc1)cc2c1OCO2)NCc1ccco1 |
| InChI | InChI=1S/C22H18N2O5/c25-21(16-5-2-1-3-6-16)24-18(22(26)23-13-17-7-4-10-27-17)11-15-8-9-19-20(12-15)29-14-28-19/h1-12H,13-14H2,(H,23,26)(H,24,25) |
| InChIK | PKLUMUVCMNPGGZ-UHFFFAOYSA-N |
| TotalMolweight | 390.394 |
| Molweight | 390.394 |
| MonoisotopicMass | 390.121573 |
| CLogP | 3.4333 |
| CLogS | -5.082 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 299.62 |
| Relative PSA | 0.27738 |
| PolarSurfaceArea | 89.8 |
| Druglikeness | 3.112 |
| 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 | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]benzamide