(5Z)-3-benzyl-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
Formula:C32H25N3OS2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(5Z)-3-benzyl-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one is not a drug-like molecule.
| MolName | (5Z)-3-benzyl-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one |
| MolecularFormula | C32H25N3OS2 |
| Smiles | O=C(N(Cc1ccccc1)C1=S)S/C1=C\c(cc1)ccc1N(C(C1)c2ccccc2)N=C1c1ccccc1 |
| InChI | InChI=1S/C32H25N3OS2/c36-32-34(22-24-10-4-1-5-11-24)31(37)30(38-32)20-23-16-18-27(19-17-23)35-29(26-14-8-3-9-15-26)21-28(33-35)25-12-6-2-7-13-25/h1-20,29H,21-22H2/t29-/m0/s1 |
| InChIK | NRSQIMQXKGQKRL-LJAQVGFWSA-N |
| TotalMolweight | 531.703 |
| Molweight | 531.703 |
| MonoisotopicMass | 531.143902 |
| CLogP | 6.8422 |
| CLogS | -7.98 |
| H Acceptors | 4 |
| TotalSurfaceArea | 401.79 |
| Relative PSA | 0.19199 |
| PolarSurfaceArea | 93.3 |
| Druglikeness | 5.5993 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (5Z)-3-benzyl-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one | 2 - (5Z)-3-benzyl-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
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