| MolName | N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide |
| MolecularFormula | C19H18N2O5 |
| Smiles | OCCNC(/C(/NC(c1ccccc1)=O)=C/c(cc1)cc2c1OCO2)=O |
| InChI | InChI=1S/C19H18N2O5/c22-9-8-20-19(24)15(21-18(23)14-4-2-1-3-5-14)10-13-6-7-16-17(11-13)26-12-25-16/h1-7,10-11,22H,8-9,12H2,(H,20,24)(H,21,23) |
| InChIK | NVZKZKYPLBMRCD-UHFFFAOYSA-N |
| TotalMolweight | 354.361 |
| Molweight | 354.361 |
| MonoisotopicMass | 354.121573 |
| CLogP | 2.3061 |
| CLogS | -3.87 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 270.28 |
| Relative PSA | 0.30376 |
| PolarSurfaceArea | 96.89 |
| Druglikeness | 3.4131 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide