(5Z)-5-(5-bromo-1-hexyl-2-oxoindol-3-ylidene)-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C25H33N2O2BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-(5-bromo-1-hexyl-2-oxoindol-3-ylidene)-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-(5-bromo-1-hexyl-2-oxoindol-3-ylidene)-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C25H33N2O2BrS2 |
| Smiles | CCCCCCCCN(C(/C(/S1)=C(\c(cc(cc2)Br)c2N2CCCCCC)/C2=O)=O)C1=S |
| InChI | InChI=1S/C25H33BrN2O2S2/c1-3-5-7-9-10-12-16-28-24(30)22(32-25(28)31)21-19-17-18(26)13-14-20(19)27(23(21)29)15-11-8-6-4-2/h13-14,17H,3-12,15-16H2,1-2H3 |
| InChIK | BZCMNJCXSUAAQA-UHFFFAOYSA-N |
| TotalMolweight | 537.585 |
| Molweight | 537.585 |
| MonoisotopicMass | 536.116679 |
| CLogP | 6.2363 |
| CLogS | -6.865 |
| H Acceptors | 4 |
| TotalSurfaceArea | 383.75 |
| Relative PSA | 0.205 |
| PolarSurfaceArea | 98.01 |
| Druglikeness | -14.783 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 12 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 16 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-5-(5-bromo-1-hexyl-2-oxoindol-3-ylidene)-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-(5-bromo-1-hexyl-2-oxoindol-3-ylidene)-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one
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