(E)-N-(2-benzoyl-1-benzofuran-3-yl)-3-(4-chlorophenyl)prop-2-enamide
Formula:C24H16NO3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2-benzoyl-1-benzofuran-3-yl)-3-(4-chlorophenyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-(2-benzoyl-1-benzofuran-3-yl)-3-(4-chlorophenyl)prop-2-enamide |
| MolecularFormula | C24H16NO3Cl |
| Smiles | O=C(/C=C/c(cc1)ccc1Cl)Nc1c(C(c2ccccc2)=O)oc2c1cccc2 |
| InChI | InChI=1S/C24H16ClNO3/c25-18-13-10-16(11-14-18)12-15-21(27)26-22-19-8-4-5-9-20(19)29-24(22)23(28)17-6-2-1-3-7-17/h1-15H,(H,26,27) |
| InChIK | RYHPZIKGFMOERJ-UHFFFAOYSA-N |
| TotalMolweight | 401.848 |
| Molweight | 401.848 |
| MonoisotopicMass | 401.081871 |
| CLogP | 5.3779 |
| CLogS | -7.517 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 305.95 |
| Relative PSA | 0.16882 |
| PolarSurfaceArea | 59.31 |
| Druglikeness | 1.2172 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-(2-benzoyl-1-benzofuran-3-yl)-3-(4-chlorophenyl)prop-2-enamide | 2 - (E)-N-(2-benzoyl-1-benzofuran-3-yl)-3-(4-chlorophenyl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off