| MolName | N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide |
| MolecularFormula | C19H18N2O5S |
| Smiles | O=C(/C(/NC(c1cccs1)=O)=C/c(cc1)cc2c1OCO2)N1CCOCC1 |
| InChI | InChI=1S/C19H18N2O5S/c22-18(17-2-1-9-27-17)20-14(19(23)21-5-7-24-8-6-21)10-13-3-4-15-16(11-13)26-12-25-15/h1-4,9-11H,5-8,12H2,(H,20,22) |
| InChIK | ZFDQQQVNPCYDOM-UHFFFAOYSA-N |
| TotalMolweight | 386.427 |
| Molweight | 386.427 |
| MonoisotopicMass | 386.093643 |
| CLogP | 2.9286 |
| CLogS | -3.792 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 282.73 |
| Relative PSA | 0.32345 |
| PolarSurfaceArea | 105.34 |
| Druglikeness | 6.1667 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide | 2 - N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide