(E)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-phenyl-N-prop-2-enylprop-2-enamide
Formula:C27H26N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-phenyl-N-prop-2-enylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-phenyl-N-prop-2-enylprop-2-enamide |
| MolecularFormula | C27H26N2O2S |
| Smiles | C=CCN(CC(N(CCc1c2ccs1)C2c1ccccc1)=O)C(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C27H26N2O2S/c1-2-17-28(25(30)14-13-21-9-5-3-6-10-21)20-26(31)29-18-15-24-23(16-19-32-24)27(29)22-11-7-4-8-12-22/h2-14,16,19,27H,1,15,17-18,20H2/t27-/m1/s1 |
| InChIK | HHCPWTFUQURIKK-HHHXNRCGSA-N |
| TotalMolweight | 442.581 |
| Molweight | 442.581 |
| MonoisotopicMass | 442.171498 |
| CLogP | 5.2282 |
| CLogS | -4.485 |
| H Acceptors | 4 |
| TotalSurfaceArea | 349.9 |
| Relative PSA | 0.15302 |
| PolarSurfaceArea | 68.86 |
| Druglikeness | 1.3819 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-phenyl-N-prop-2-enylprop-2-enamide | 2 - (E)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-phenyl-N-prop-2-enylprop-2-enamide
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