N-[(E)-3-oxo-1-phenyl-3-(2-phenylethylamino)prop-1-en-2-yl]furan-2-carboxamide
Formula:C22H20N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-3-oxo-1-phenyl-3-(2-phenylethylamino)prop-1-en-2-yl]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[(E)-3-oxo-1-phenyl-3-(2-phenylethylamino)prop-1-en-2-yl]furan-2-carboxamide |
| MolecularFormula | C22H20N2O3 |
| Smiles | O=C(/C(/NC(c1ccco1)=O)=C\c1ccccc1)NCCc1ccccc1 |
| InChI | InChI=1S/C22H20N2O3/c25-21(23-14-13-17-8-3-1-4-9-17)19(16-18-10-5-2-6-11-18)24-22(26)20-12-7-15-27-20/h1-12,15-16H,13-14H2,(H,23,25)(H,24,26) |
| InChIK | OXLBHTXGDSPVSJ-UHFFFAOYSA-N |
| TotalMolweight | 360.412 |
| Molweight | 360.412 |
| MonoisotopicMass | 360.147393 |
| CLogP | 3.752 |
| CLogS | -4.483 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 293.12 |
| Relative PSA | 0.2153 |
| PolarSurfaceArea | 71.34 |
| Druglikeness | 3.4216 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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