| MolName | N-[(Z)-1-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]benzamide |
| MolecularFormula | C23H26N3O3F |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C/c(cc1)ccc1F)NCCCN1CCOCC1 |
| InChI | InChI=1S/C23H26FN3O3/c24-20-9-7-18(8-10-20)17-21(26-22(28)19-5-2-1-3-6-19)23(29)25-11-4-12-27-13-15-30-16-14-27/h1-3,5-10,17H,4,11-16H2,(H,25,29)(H,26,28) |
| InChIK | NCFVUKFGRFDEBX-UHFFFAOYSA-N |
| TotalMolweight | 411.475 |
| Molweight | 411.475 |
| MonoisotopicMass | 411.19582 |
| CLogP | 2.9391 |
| CLogS | -3.44 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 325.62 |
| Relative PSA | 0.1921 |
| PolarSurfaceArea | 70.67 |
| Druglikeness | 3.5129 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-1-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(Z)-1-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]benzamide