(2E)-2-[(Z)-(4-bromophenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
Formula:C21H16N3OBrS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(2E)-2-[(Z)-(4-bromophenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (2E)-2-[(Z)-(4-bromophenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one |
| MolecularFormula | C21H16N3OBrS |
| Smiles | O=C(CS1)N(Cc2cccc3ccccc23)/C1=N\N=C/c(cc1)ccc1Br |
| InChI | InChI=1S/C21H16BrN3OS/c22-18-10-8-15(9-11-18)12-23-24-21-25(20(26)14-27-21)13-17-6-3-5-16-4-1-2-7-19(16)17/h1-12H,13-14H2 |
| InChIK | HUBUMFQFTVPSRZ-UHFFFAOYSA-N |
| TotalMolweight | 438.348 |
| Molweight | 438.348 |
| MonoisotopicMass | 437.019743 |
| CLogP | 6.1593 |
| CLogS | -6.912 |
| H Acceptors | 4 |
| TotalSurfaceArea | 293.54 |
| Relative PSA | 0.19452 |
| PolarSurfaceArea | 70.33 |
| Druglikeness | 3.3329 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (2E)-2-[(Z)-(4-bromophenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one | 2 - (2E)-2-[(Z)-(4-bromophenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
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