| MolName | 4-[[(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-N-naphthalen-1-ylbenzamide |
| MolecularFormula | C30H20N2O3Cl2 |
| Smiles | O=C(/C=C/c1ccc(-c(ccc(Cl)c2)c2Cl)o1)Nc(cc1)ccc1C(Nc1cccc2ccccc12)=O |
| InChI | InChI=1S/C30H20Cl2N2O3/c31-21-10-15-25(26(32)18-21)28-16-13-23(37-28)14-17-29(35)33-22-11-8-20(9-12-22)30(36)34-27-7-3-5-19-4-1-2-6-24(19)27/h1-18H,(H,33,35)(H,34,36) |
| InChIK | QPGRIGIAYYXDGW-UHFFFAOYSA-N |
| TotalMolweight | 527.406 |
| Molweight | 527.406 |
| MonoisotopicMass | 526.085097 |
| CLogP | 7.6291 |
| CLogS | -9.548 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 392.59 |
| Relative PSA | 0.16075 |
| PolarSurfaceArea | 71.34 |
| Druglikeness | 1.102 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62162 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - 4-[[(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-N-naphthalen-1-ylbenzamide | 2 - 4-[[(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-N-naphthalen-1-ylbenzamide