(5Z)-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C24H21N2O2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C24H21N2O2ClS2 |
| Smiles | O=C1N(Cc(cccc2)c2Cl)c(cccc2)c2/C1=C(\C(N1C2CCCCC2)=O)/SC1=S |
| InChI | InChI=1S/C24H21ClN2O2S2/c25-18-12-6-4-8-15(18)14-26-19-13-7-5-11-17(19)20(22(26)28)21-23(29)27(24(30)31-21)16-9-2-1-3-10-16/h4-8,11-13,16H,1-3,9-10,14H2 |
| InChIK | CABJBTSJMUNXGB-UHFFFAOYSA-N |
| TotalMolweight | 469.028 |
| Molweight | 469.028 |
| MonoisotopicMass | 468.073295 |
| CLogP | 3.7343 |
| CLogS | -6.364 |
| H Acceptors | 4 |
| TotalSurfaceArea | 332.22 |
| Relative PSA | 0.2368 |
| PolarSurfaceArea | 98.01 |
| Druglikeness | -0.58111 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
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