| MolName | N-[(Z)-1-(furan-2-yl)-3-[2-(1H-indol-2-yl)ethylamino]-3-oxoprop-1-en-2-yl]benzamide |
| MolecularFormula | C24H21N3O3 |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C/c1ccco1)NCCc1cc(cccc2)c2[nH]1 |
| InChI | InChI=1S/C24H21N3O3/c28-23(17-7-2-1-3-8-17)27-22(16-20-10-6-14-30-20)24(29)25-13-12-19-15-18-9-4-5-11-21(18)26-19/h1-11,14-16,26H,12-13H2,(H,25,29)(H,27,28) |
| InChIK | KNHZVNQDXSUMEQ-UHFFFAOYSA-N |
| TotalMolweight | 399.449 |
| Molweight | 399.449 |
| MonoisotopicMass | 399.158292 |
| CLogP | 3.8454 |
| CLogS | -5.032 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 317.29 |
| Relative PSA | 0.243 |
| PolarSurfaceArea | 87.13 |
| Druglikeness | 3.4611 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-1-(furan-2-yl)-3-[2-(1H-indol-2-yl)ethylamino]-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(Z)-1-(furan-2-yl)-3-[2-(1H-indol-2-yl)ethylamino]-3-oxoprop-1-en-2-yl]benzamide