(5Z)-3-[(4-chlorophenyl)methyl]-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
Formula:C32H24N3OClS2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(5Z)-3-[(4-chlorophenyl)methyl]-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-[(4-chlorophenyl)methyl]-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one |
| MolecularFormula | C32H24N3OClS2 |
| Smiles | O=C(N(Cc(cc1)ccc1Cl)C1=S)S/C1=C\c(cc1)ccc1N(C(C1)c2ccccc2)N=C1c1ccccc1 |
| InChI | InChI=1S/C32H24ClN3OS2/c33-26-15-11-23(12-16-26)21-35-31(38)30(39-32(35)37)19-22-13-17-27(18-14-22)36-29(25-9-5-2-6-10-25)20-28(34-36)24-7-3-1-4-8-24/h1-19,29H,20-21H2/t29-/m0/s1 |
| InChIK | QOPSQJMRUYLTNL-LJAQVGFWSA-N |
| TotalMolweight | 566.148 |
| Molweight | 566.148 |
| MonoisotopicMass | 565.104929 |
| CLogP | 7.4482 |
| CLogS | -8.716 |
| H Acceptors | 4 |
| TotalSurfaceArea | 417.21 |
| Relative PSA | 0.18489 |
| PolarSurfaceArea | 93.3 |
| Druglikeness | 5.6387 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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-[(4-chlorophenyl)methyl]-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one | 2 - (5Z)-3-[(4-chlorophenyl)methyl]-5-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
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