(5Z)-5-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C23H19N2O3BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-3-(oxolan-2-ylmethyl)-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-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C23H19N2O3BrS2 |
| Smiles | O=C1N(Cc2ccccc2)c(ccc(Br)c2)c2/C1=C(\C(N1CC2OCCC2)=O)/SC1=S |
| InChI | InChI=1S/C23H19BrN2O3S2/c24-15-8-9-18-17(11-15)19(21(27)25(18)12-14-5-2-1-3-6-14)20-22(28)26(23(30)31-20)13-16-7-4-10-29-16/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2/t16-/m1/s1 |
| InChIK | AWBLPFIMSDNFBV-MRXNPFEDSA-N |
| TotalMolweight | 515.451 |
| Molweight | 515.451 |
| MonoisotopicMass | 514.002044 |
| CLogP | 2.5976 |
| CLogS | -5.573 |
| H Acceptors | 5 |
| TotalSurfaceArea | 331.67 |
| Relative PSA | 0.26734 |
| PolarSurfaceArea | 107.24 |
| Druglikeness | 1.3146 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48387 |
| 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 |
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1 - (5Z)-5-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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