(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(3-morpholin-4-ylpropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
Formula:C24H26N2O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(3-morpholin-4-ylpropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(3-morpholin-4-ylpropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione |
| MolecularFormula | C24H26N2O6S |
| Smiles | O/C(/c(cc1)cc2c1OCCO2)=C(\C(c1cccs1)N(CCCN1CCOCC1)C1=O)/C1=O |
| InChI | InChI=1S/C24H26N2O6S/c27-22(16-4-5-17-18(15-16)32-13-12-31-17)20-21(19-3-1-14-33-19)26(24(29)23(20)28)7-2-6-25-8-10-30-11-9-25/h1,3-5,14-15,21,27H,2,6-13H2/t21-/m0/s1 |
| InChIK | BTYHXMGFHGSDBW-NRFANRHFSA-N |
| TotalMolweight | 470.544 |
| Molweight | 470.544 |
| MonoisotopicMass | 470.151158 |
| CLogP | 1.9077 |
| CLogS | -2.1 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 340.17 |
| Relative PSA | 0.28409 |
| PolarSurfaceArea | 116.78 |
| Druglikeness | -4.6944 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 15 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(3-morpholin-4-ylpropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione | 2 - (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(3-morpholin-4-ylpropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
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