(5Z)-3-benzyl-5-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C25H17N2O2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-benzyl-5-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-benzyl-5-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C25H17N2O2ClS2 |
| Smiles | O=C1N(Cc(cc2)ccc2Cl)c(cccc2)c2/C1=C(\C(N1Cc2ccccc2)=O)/SC1=S |
| InChI | InChI=1S/C25H17ClN2O2S2/c26-18-12-10-17(11-13-18)14-27-20-9-5-4-8-19(20)21(23(27)29)22-24(30)28(25(31)32-22)15-16-6-2-1-3-7-16/h1-13H,14-15H2 |
| InChIK | KXXBZJWVSSWPOF-UHFFFAOYSA-N |
| TotalMolweight | 477.007 |
| Molweight | 477.007 |
| MonoisotopicMass | 476.041995 |
| CLogP | 3.5967 |
| CLogS | -6.113 |
| H Acceptors | 4 |
| TotalSurfaceArea | 337.94 |
| Relative PSA | 0.23279 |
| PolarSurfaceArea | 98.01 |
| Druglikeness | 4.559 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-3-benzyl-5-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-benzyl-5-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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