(2E,5R)-2-[(Z)-benzylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one
Formula:C23H18N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E,5R)-2-[(Z)-benzylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (2E,5R)-2-[(Z)-benzylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one |
| MolecularFormula | C23H18N4O3S |
| Smiles | [O-][N+](c1cccc(C[C@H](C(N2c3ccccc3)=O)S/C2=N/N=C\c2ccccc2)c1)=O |
| InChI | InChI=1S/C23H18N4O3S/c28-22-21(15-18-10-7-13-20(14-18)27(29)30)31-23(26(22)19-11-5-2-6-12-19)25-24-16-17-8-3-1-4-9-17/h1-14,16,21H,15H2/t21-/m1/s1 |
| InChIK | NFKSFHCOWVWCPA-OAQYLSRUSA-N |
| TotalMolweight | 430.487 |
| Molweight | 430.487 |
| MonoisotopicMass | 430.109961 |
| CLogP | 5.5092 |
| CLogS | -6.785 |
| H Acceptors | 7 |
| TotalSurfaceArea | 322.48 |
| Relative PSA | 0.2714 |
| PolarSurfaceArea | 116.15 |
| Druglikeness | 0.99471 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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1 - (2E,5R)-2-[(Z)-benzylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one | 2 - (2E,5R)-2-[(Z)-benzylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one
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