(5S)-1-(1,3-benzothiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
Formula:C24H16N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(5S)-1-(1,3-benzothiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (5S)-1-(1,3-benzothiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrolidine-2,3-dione |
| MolecularFormula | C24H16N2O3S |
| Smiles | OC(c1ccccc1)=C([C@H](c1ccccc1)N(C1=O)c2nc(cccc3)c3s2)C1=O |
| InChI | InChI=1S/C24H16N2O3S/c27-21(16-11-5-2-6-12-16)19-20(15-9-3-1-4-10-15)26(23(29)22(19)28)24-25-17-13-7-8-14-18(17)30-24/h1-14,20,27H/t20-/m0/s1 |
| InChIK | PHGNROOCQIVLQE-FQEVSTJZSA-N |
| TotalMolweight | 412.468 |
| Molweight | 412.468 |
| MonoisotopicMass | 412.088163 |
| CLogP | 4.2367 |
| CLogS | -4.96 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 296.15 |
| Relative PSA | 0.25008 |
| PolarSurfaceArea | 98.74 |
| Druglikeness | -0.16033 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.43333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
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1 - (5S)-1-(1,3-benzothiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrolidine-2,3-dione | 2 - (5S)-1-(1,3-benzothiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
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