(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[4-(pyridin-4-ylmethyl)phenyl]prop-2-enamide
Formula:C25H18N2O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[4-(pyridin-4-ylmethyl)phenyl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[4-(pyridin-4-ylmethyl)phenyl]prop-2-enamide |
| MolecularFormula | C25H18N2O2Cl2 |
| Smiles | O=C(/C=C/c1ccc(-c(ccc(Cl)c2)c2Cl)o1)Nc1ccc(Cc2ccncc2)cc1 |
| InChI | InChI=1S/C25H18Cl2N2O2/c26-19-3-8-22(23(27)16-19)24-9-6-21(31-24)7-10-25(30)29-20-4-1-17(2-5-20)15-18-11-13-28-14-12-18/h1-14,16H,15H2,(H,29,30) |
| InChIK | WVFMHAHODAYHSF-UHFFFAOYSA-N |
| TotalMolweight | 449.336 |
| Molweight | 449.336 |
| MonoisotopicMass | 448.074532 |
| CLogP | 6.1022 |
| CLogS | -7.346 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 341.3 |
| Relative PSA | 0.14527 |
| PolarSurfaceArea | 55.13 |
| Druglikeness | 1.0454 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[4-(pyridin-4-ylmethyl)phenyl]prop-2-enamide | 2 - (E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[4-(pyridin-4-ylmethyl)phenyl]prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off