(5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C26H17N2O4ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C26H17N2O4ClS2 |
| Smiles | O=C1N(Cc(cccc2)c2Cl)c(cccc2)c2/C1=C(\C(N1Cc(cc2)cc3c2OCO3)=O)/SC1=S |
| InChI | InChI=1S/C26H17ClN2O4S2/c27-18-7-3-1-5-16(18)13-28-19-8-4-2-6-17(19)22(24(28)30)23-25(31)29(26(34)35-23)12-15-9-10-20-21(11-15)33-14-32-20/h1-11H,12-14H2 |
| InChIK | SNUGMFTZCYJJLN-UHFFFAOYSA-N |
| TotalMolweight | 521.016 |
| Molweight | 521.016 |
| MonoisotopicMass | 520.031825 |
| CLogP | 3.7081 |
| CLogS | -6.824 |
| H Acceptors | 6 |
| TotalSurfaceArea | 358.2 |
| Relative PSA | 0.27546 |
| PolarSurfaceArea | 116.47 |
| Druglikeness | 4.4995 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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