(5Z)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one
Formula:C33H29N2O2ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5Z)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C33H29N2O2ClS |
| Smiles | O=C(/C(/S1)=C/c(c2ccccc2cc2)c2OCc(cc2)ccc2Cl)N(C2CCCCC2)/C1=N\c1ccccc1 |
| InChI | InChI=1S/C33H29ClN2O2S/c34-25-18-15-23(16-19-25)22-38-30-20-17-24-9-7-8-14-28(24)29(30)21-31-32(37)36(27-12-5-2-6-13-27)33(39-31)35-26-10-3-1-4-11-26/h1,3-4,7-11,14-21,27H,2,5-6,12-13,22H2 |
| InChIK | KAKWPOQFONXHEL-UHFFFAOYSA-N |
| TotalMolweight | 553.124 |
| Molweight | 553.124 |
| MonoisotopicMass | 552.163825 |
| CLogP | 7.887 |
| CLogS | -9.262 |
| H Acceptors | 4 |
| TotalSurfaceArea | 414.08 |
| Relative PSA | 0.13425 |
| PolarSurfaceArea | 67.2 |
| Druglikeness | -1.6896 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one
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