(E)-3-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]-N-(furan-2-ylmethyl)prop-2-enamide
Formula:C23H20N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-3-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]-N-(furan-2-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]-N-(furan-2-ylmethyl)prop-2-enamide |
| MolecularFormula | C23H20N2O4 |
| Smiles | O=C(/C=C/c1cccc(N(C(C2C3C4C=CC2C4)=O)C3=O)c1)NCc1ccco1 |
| InChI | InChI=1S/C23H20N2O4/c26-19(24-13-18-5-2-10-29-18)9-6-14-3-1-4-17(11-14)25-22(27)20-15-7-8-16(12-15)21(20)23(25)28/h1-11,15-16,20-21H,12-13H2,(H,24,26) |
| InChIK | BYZGCFBUMIPGGX-UHFFFAOYSA-N |
| TotalMolweight | 388.422 |
| Molweight | 388.422 |
| MonoisotopicMass | 388.142308 |
| CLogP | 1.9504 |
| CLogS | -4.536 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 287.74 |
| Relative PSA | 0.23716 |
| PolarSurfaceArea | 79.62 |
| Druglikeness | 2.4064 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (E)-3-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]-N-(furan-2-ylmethyl)prop-2-enamide | 2 - (E)-3-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]-N-(furan-2-ylmethyl)prop-2-enamide
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