(5E)-5-[(3-bromophenyl)methylidene]-3-naphthalen-1-yl-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
Formula:C30H19N2OBrS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5E)-5-[(3-bromophenyl)methylidene]-3-naphthalen-1-yl-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5E)-5-[(3-bromophenyl)methylidene]-3-naphthalen-1-yl-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C30H19N2OBrS |
| Smiles | O=C(/C(/S/C1=N\c2cccc3ccccc23)=C\c2cccc(Br)c2)N1c1cccc2ccccc12 |
| InChI | InChI=1S/C30H19BrN2OS/c31-23-13-5-8-20(18-23)19-28-29(34)33(27-17-7-12-22-10-2-4-15-25(22)27)30(35-28)32-26-16-6-11-21-9-1-3-14-24(21)26/h1-19H |
| InChIK | RLJYFAXMXFDPBL-UHFFFAOYSA-N |
| TotalMolweight | 535.464 |
| Molweight | 535.464 |
| MonoisotopicMass | 534.040144 |
| CLogP | 7.792 |
| CLogS | -9.896 |
| H Acceptors | 3 |
| TotalSurfaceArea | 360.33 |
| Relative PSA | 0.12652 |
| PolarSurfaceArea | 57.97 |
| Druglikeness | 1.5737 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.4 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-5-[(3-bromophenyl)methylidene]-3-naphthalen-1-yl-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one | 2 - (5E)-5-[(3-bromophenyl)methylidene]-3-naphthalen-1-yl-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off