(E)-3-naphthalen-1-yl-N-[2-(N-[(E)-3-naphthalen-1-ylprop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide
Formula:C40H32N2O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-naphthalen-1-yl-N-[2-(N-[(E)-3-naphthalen-1-ylprop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-naphthalen-1-yl-N-[2-(N-[(E)-3-naphthalen-1-ylprop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide |
| MolecularFormula | C40H32N2O2 |
| Smiles | O=C(/C=C/c1cccc2ccccc12)N(CCN(C(/C=C/c1cccc2ccccc12)=O)c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C40H32N2O2/c43-39(27-25-33-17-11-15-31-13-7-9-23-37(31)33)41(35-19-3-1-4-20-35)29-30-42(36-21-5-2-6-22-36)40(44)28-26-34-18-12-16-32-14-8-10-24-38(32)34/h1-28H,29-30H2 |
| InChIK | DVYHHKWIXYVQER-UHFFFAOYSA-N |
| TotalMolweight | 572.706 |
| Molweight | 572.706 |
| MonoisotopicMass | 572.246378 |
| CLogP | 8.9956 |
| CLogS | -9.776 |
| H Acceptors | 4 |
| TotalSurfaceArea | 458.36 |
| Relative PSA | 0.072389 |
| PolarSurfaceArea | 40.62 |
| Druglikeness | 2.0971 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 44 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 9 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 32 |
| Sp3Atoms | 2 |
| Symmetricatoms | 24 |
| Amides | 2 |
| StereoCon |
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1 - (E)-3-naphthalen-1-yl-N-[2-(N-[(E)-3-naphthalen-1-ylprop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide | 2 - (E)-3-naphthalen-1-yl-N-[2-(N-[(E)-3-naphthalen-1-ylprop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide
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