(5Z)-3-cyclopentyl-5-[[1-phenyl-3-(3-phenylmethoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C31H27N3O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-cyclopentyl-5-[[1-phenyl-3-(3-phenylmethoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-3-cyclopentyl-5-[[1-phenyl-3-(3-phenylmethoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C31H27N3O2S2 |
| Smiles | O=C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c2cc(OCc3ccccc3)ccc2)N(C2CCCC2)C1=S |
| InChI | InChI=1S/C31H27N3O2S2/c35-30-28(38-31(37)34(30)26-15-7-8-16-26)19-24-20-33(25-13-5-2-6-14-25)32-29(24)23-12-9-17-27(18-23)36-21-22-10-3-1-4-11-22/h1-6,9-14,17-20,26H,7-8,15-16,21H2 |
| InChIK | CBOHALYGGKDFEH-UHFFFAOYSA-N |
| TotalMolweight | 537.706 |
| Molweight | 537.706 |
| MonoisotopicMass | 537.154467 |
| CLogP | 4.8779 |
| CLogS | -7.296 |
| H Acceptors | 5 |
| TotalSurfaceArea | 407.76 |
| Relative PSA | 0.22052 |
| PolarSurfaceArea | 104.75 |
| Druglikeness | 2.1789 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47368 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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-[[1-phenyl-3-(3-phenylmethoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-cyclopentyl-5-[[1-phenyl-3-(3-phenylmethoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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