(5Z)-3-cyclopentyl-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C24H21N3OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-cyclopentyl-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-cyclopentyl-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C24H21N3OS2 |
| Smiles | O=C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c2ccccc2)N(C2CCCC2)C1=S |
| InChI | InChI=1S/C24H21N3OS2/c28-23-21(30-24(29)27(23)20-13-7-8-14-20)15-18-16-26(19-11-5-2-6-12-19)25-22(18)17-9-3-1-4-10-17/h1-6,9-12,15-16,20H,7-8,13-14H2 |
| InChIK | JADPIPLSPVBREE-UHFFFAOYSA-N |
| TotalMolweight | 431.583 |
| Molweight | 431.583 |
| MonoisotopicMass | 431.112602 |
| CLogP | 3.5298 |
| CLogS | -5.955 |
| H Acceptors | 4 |
| TotalSurfaceArea | 324.24 |
| Relative PSA | 0.24648 |
| PolarSurfaceArea | 95.52 |
| Druglikeness | 2.3447 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (5Z)-3-cyclopentyl-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-cyclopentyl-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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