(4E)-4-[hydroxy(phenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
Formula:C22H24N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[hydroxy(phenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[hydroxy(phenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione |
| MolecularFormula | C22H24N2O4S |
| Smiles | O/C(/c1ccccc1)=C(\C(c1cccs1)N(CCCN1CCOCC1)C1=O)/C1=O |
| InChI | InChI=1S/C22H24N2O4S/c25-20(16-6-2-1-3-7-16)18-19(17-8-4-15-29-17)24(22(27)21(18)26)10-5-9-23-11-13-28-14-12-23/h1-4,6-8,15,19,25H,5,9-14H2/t19-/m0/s1 |
| InChIK | DJVJKZZQUACHMY-IBGZPJMESA-N |
| TotalMolweight | 412.509 |
| Molweight | 412.509 |
| MonoisotopicMass | 412.145678 |
| CLogP | 1.9289 |
| CLogS | -1.918 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 306.15 |
| Relative PSA | 0.25033 |
| PolarSurfaceArea | 98.32 |
| Druglikeness | 2.1856 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 11 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - (4E)-4-[hydroxy(phenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione | 2 - (4E)-4-[hydroxy(phenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
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