(5Z)-5-(1-benzyl-2-oxoindol-3-ylidene)-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C26H20N2O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-(1-benzyl-2-oxoindol-3-ylidene)-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-(1-benzyl-2-oxoindol-3-ylidene)-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C26H20N2O2S2 |
| Smiles | O=C1N(Cc2ccccc2)c(cccc2)c2/C1=C(\C(N1CCc2ccccc2)=O)/SC1=S |
| InChI | InChI=1S/C26H20N2O2S2/c29-24-22(20-13-7-8-14-21(20)28(24)17-19-11-5-2-6-12-19)23-25(30)27(26(31)32-23)16-15-18-9-3-1-4-10-18/h1-14H,15-17H2 |
| InChIK | CTGPQWHFYRRPJT-UHFFFAOYSA-N |
| TotalMolweight | 456.589 |
| Molweight | 456.589 |
| MonoisotopicMass | 456.096618 |
| CLogP | 3.4208 |
| CLogS | -5.489 |
| H Acceptors | 4 |
| TotalSurfaceArea | 336.28 |
| Relative PSA | 0.23394 |
| PolarSurfaceArea | 98.01 |
| Druglikeness | 4.6976 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-5-(1-benzyl-2-oxoindol-3-ylidene)-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-(1-benzyl-2-oxoindol-3-ylidene)-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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