(5Z)-3-cyclohexyl-2-cyclohexylimino-5-[[4-[(2,4-dibromophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
Formula:C29H32N2O2Br2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5Z)-3-cyclohexyl-2-cyclohexylimino-5-[[4-[(2,4-dibromophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-3-cyclohexyl-2-cyclohexylimino-5-[[4-[(2,4-dibromophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one |
| MolecularFormula | C29H32N2O2Br2S |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2OCc(ccc(Br)c2)c2Br)N(C2CCCCC2)/C1=N/C1CCCCC1 |
| InChI | InChI=1S/C29H32Br2N2O2S/c30-22-14-13-21(26(31)18-22)19-35-25-15-11-20(12-16-25)17-27-28(34)33(24-9-5-2-6-10-24)29(36-27)32-23-7-3-1-4-8-23/h11-18,23-24H,1-10,19H2 |
| InChIK | MMQGBYSCGFSEQG-UHFFFAOYSA-N |
| TotalMolweight | 632.459 |
| Molweight | 632.459 |
| MonoisotopicMass | 630.05512 |
| CLogP | 7.7786 |
| CLogS | -9 |
| H Acceptors | 4 |
| TotalSurfaceArea | 409.36 |
| Relative PSA | 0.1358 |
| PolarSurfaceArea | 67.2 |
| Druglikeness | -4.8767 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 15 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-cyclohexyl-2-cyclohexylimino-5-[[4-[(2,4-dibromophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one | 2 - (5Z)-3-cyclohexyl-2-cyclohexylimino-5-[[4-[(2,4-dibromophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
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