(5Z)-3-cyclopentyl-5-[[3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C31H25N3O2Cl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-cyclopentyl-5-[[3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-3-cyclopentyl-5-[[3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C31H25N3O2Cl2S2 |
| Smiles | O=C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c(cc2)ccc2OCc(ccc(Cl)c2)c2Cl)N(C2CCCC2)C1=S |
| InChI | InChI=1S/C31H25Cl2N3O2S2/c32-23-13-10-21(27(33)17-23)19-38-26-14-11-20(12-15-26)29-22(18-35(34-29)24-6-2-1-3-7-24)16-28-30(37)36(31(39)40-28)25-8-4-5-9-25/h1-3,6-7,10-18,25H,4-5,8-9,19H2 |
| InChIK | PZIVPFOJVWHCCR-UHFFFAOYSA-N |
| TotalMolweight | 606.597 |
| Molweight | 606.597 |
| MonoisotopicMass | 605.076521 |
| CLogP | 6.0899 |
| CLogS | -8.768 |
| H Acceptors | 5 |
| TotalSurfaceArea | 438.6 |
| Relative PSA | 0.20502 |
| PolarSurfaceArea | 104.75 |
| Druglikeness | 2.2363 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (5Z)-3-cyclopentyl-5-[[3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-cyclopentyl-5-[[3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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