(E)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-phenyl-N-prop-2-enylprop-2-enamide
Formula:C26H26N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-phenyl-N-prop-2-enylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-phenyl-N-prop-2-enylprop-2-enamide |
| MolecularFormula | C26H26N2O3 |
| Smiles | C=CCN(CC(N(Cc1ccco1)Cc1ccccc1)=O)C(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C26H26N2O3/c1-2-17-27(25(29)16-15-22-10-5-3-6-11-22)21-26(30)28(20-24-14-9-18-31-24)19-23-12-7-4-8-13-23/h2-16,18H,1,17,19-21H2 |
| InChIK | ODILNLVGCOPASL-UHFFFAOYSA-N |
| TotalMolweight | 414.503 |
| Molweight | 414.503 |
| MonoisotopicMass | 414.194343 |
| CLogP | 3.7444 |
| CLogS | -3.871 |
| H Acceptors | 5 |
| TotalSurfaceArea | 344.65 |
| Relative PSA | 0.13721 |
| PolarSurfaceArea | 53.76 |
| Druglikeness | -0.47224 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - (E)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-phenyl-N-prop-2-enylprop-2-enamide | 2 - (E)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-phenyl-N-prop-2-enylprop-2-enamide
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