(E)-N-benzyl-N-[2-[benzyl-[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]ethyl]-3-naphthalen-1-ylprop-2-enamide
Formula:C42H36N2O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-N-benzyl-N-[2-[benzyl-[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]ethyl]-3-naphthalen-1-ylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-benzyl-N-[2-[benzyl-[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]ethyl]-3-naphthalen-1-ylprop-2-enamide |
| MolecularFormula | C42H36N2O2 |
| Smiles | O=C(/C=C/c1cccc2ccccc12)N(CCN(Cc1ccccc1)C(/C=C/c1cccc2ccccc12)=O)Cc1ccccc1 |
| InChI | InChI=1S/C42H36N2O2/c45-41(27-25-37-21-11-19-35-17-7-9-23-39(35)37)43(31-33-13-3-1-4-14-33)29-30-44(32-34-15-5-2-6-16-34)42(46)28-26-38-22-12-20-36-18-8-10-24-40(36)38/h1-28H,29-32H2 |
| InChIK | HTRBTXJDKGMSCO-UHFFFAOYSA-N |
| TotalMolweight | 600.76 |
| Molweight | 600.76 |
| MonoisotopicMass | 600.277678 |
| CLogP | 8.4486 |
| CLogS | -8.732 |
| H Acceptors | 4 |
| TotalSurfaceArea | 485.88 |
| Relative PSA | 0.068288 |
| PolarSurfaceArea | 40.62 |
| Druglikeness | 2.4225 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.43478 |
| Fragments | 1 |
| Non HAtoms | 46 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 11 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 32 |
| Sp3Atoms | 4 |
| Symmetricatoms | 25 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-benzyl-N-[2-[benzyl-[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]ethyl]-3-naphthalen-1-ylprop-2-enamide | 2 - (E)-N-benzyl-N-[2-[benzyl-[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]ethyl]-3-naphthalen-1-ylprop-2-enamide
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