(5Z)-5-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C23H19N2O3ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C23H19N2O3ClS2 |
| Smiles | O=C1N(Cc(cc2)ccc2Cl)c(cccc2)c2/C1=C(\C(N1CC2OCCC2)=O)/SC1=S |
| InChI | InChI=1S/C23H19ClN2O3S2/c24-15-9-7-14(8-10-15)12-25-18-6-2-1-5-17(18)19(21(25)27)20-22(28)26(23(30)31-20)13-16-4-3-11-29-16/h1-2,5-10,16H,3-4,11-13H2/t16-/m1/s1 |
| InChIK | YYHGEHOCACUDHT-MRXNPFEDSA-N |
| TotalMolweight | 471 |
| Molweight | 471 |
| MonoisotopicMass | 470.05256 |
| CLogP | 2.4784 |
| CLogS | -5.475 |
| H Acceptors | 5 |
| TotalSurfaceArea | 328.46 |
| Relative PSA | 0.26996 |
| PolarSurfaceArea | 107.24 |
| Druglikeness | 3.1654 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (5Z)-5-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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