(E)-N-cyclopropyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-phenylprop-2-enamide
Formula:C27H26N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-cyclopropyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-phenylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-cyclopropyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-phenylprop-2-enamide |
| MolecularFormula | C27H26N2O2S |
| Smiles | O=C(CN(C1CC1)C(/C=C/c1ccccc1)=O)N(CCc1c2ccs1)C2c1ccccc1 |
| InChI | InChI=1S/C27H26N2O2S/c30-25(14-11-20-7-3-1-4-8-20)29(22-12-13-22)19-26(31)28-17-15-24-23(16-18-32-24)27(28)21-9-5-2-6-10-21/h1-11,14,16,18,22,27H,12-13,15,17,19H2/t27-/m1/s1 |
| InChIK | KEWPAIPXRICALH-HHHXNRCGSA-N |
| TotalMolweight | 442.581 |
| Molweight | 442.581 |
| MonoisotopicMass | 442.171498 |
| CLogP | 5.0827 |
| CLogS | -4.74 |
| H Acceptors | 4 |
| TotalSurfaceArea | 338.12 |
| Relative PSA | 0.15835 |
| PolarSurfaceArea | 68.86 |
| Druglikeness | 4.0346 |
| 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 | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-N-cyclopropyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-phenylprop-2-enamide | 2 - (E)-N-cyclopropyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-phenylprop-2-enamide
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