1-benzyl-2-(2,4-dichlorophenyl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
Formula:C26H19NO3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-benzyl-2-(2,4-dichlorophenyl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one is not a drug-like molecule.
| MolName | 1-benzyl-2-(2,4-dichlorophenyl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one |
| MolecularFormula | C26H19NO3Cl2 |
| Smiles | OC(C(N(Cc1ccccc1)C1c(ccc(Cl)c2)c2Cl)=O)=C1C(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C26H19Cl2NO3/c27-19-12-13-20(21(28)15-19)24-23(22(30)14-11-17-7-3-1-4-8-17)25(31)26(32)29(24)16-18-9-5-2-6-10-18/h1-15,24,31H,16H2/t24-/m1/s1 |
| InChIK | FELAKEDHLXIQDR-XMMPIXPASA-N |
| TotalMolweight | 464.347 |
| Molweight | 464.347 |
| MonoisotopicMass | 463.074198 |
| CLogP | 5.0749 |
| CLogS | -5.653 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 337.95 |
| Relative PSA | 0.12644 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | 4.5667 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 4-acyl-3-azoline-2-one-3-ol |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
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1 - 1-benzyl-2-(2,4-dichlorophenyl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one | 2 - 1-benzyl-2-(2,4-dichlorophenyl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
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