(5Z)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C32H28N3O2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C32H28N3O2ClS2 |
| Smiles | O=C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c(cc2)ccc2OCc(cccc2)c2Cl)N(C2CCCCC2)C1=S |
| InChI | InChI=1S/C32H28ClN3O2S2/c33-28-14-8-7-9-23(28)21-38-27-17-15-22(16-18-27)30-24(20-35(34-30)25-10-3-1-4-11-25)19-29-31(37)36(32(39)40-29)26-12-5-2-6-13-26/h1,3-4,7-11,14-20,26H,2,5-6,12-13,21H2 |
| InChIK | HXXDWPTZOFNBDB-UHFFFAOYSA-N |
| TotalMolweight | 586.178 |
| Molweight | 586.178 |
| MonoisotopicMass | 585.131144 |
| CLogP | 5.8259 |
| CLogS | -8.302 |
| H Acceptors | 5 |
| TotalSurfaceArea | 436.94 |
| Relative PSA | 0.20579 |
| PolarSurfaceArea | 104.75 |
| Druglikeness | -0.39834 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (5Z)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
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