(5Z)-5-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C24H21N2O2BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C24H21N2O2BrS2 |
| Smiles | O=C1N(Cc2ccccc2)c(ccc(Br)c2)c2/C1=C(\C(N1C2CCCCC2)=O)/SC1=S |
| InChI | InChI=1S/C24H21BrN2O2S2/c25-16-11-12-19-18(13-16)20(22(28)26(19)14-15-7-3-1-4-8-15)21-23(29)27(24(30)31-21)17-9-5-2-6-10-17/h1,3-4,7-8,11-13,17H,2,5-6,9-10,14H2 |
| InChIK | QQEQQGUWGZFJSY-UHFFFAOYSA-N |
| TotalMolweight | 513.479 |
| Molweight | 513.479 |
| MonoisotopicMass | 512.022779 |
| CLogP | 3.8535 |
| CLogS | -6.462 |
| H Acceptors | 4 |
| TotalSurfaceArea | 335.43 |
| Relative PSA | 0.23453 |
| PolarSurfaceArea | 98.01 |
| Druglikeness | -2.4252 |
| 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 | 4 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-5-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
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