(5Z)-3-(4-chlorophenyl)-5-[2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C23H20N3O2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(4-chlorophenyl)-5-[2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(4-chlorophenyl)-5-[2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C23H20N3O2ClS2 |
| Smiles | O=C1N(CN2CCCCC2)c(cccc2)c2/C1=C(\C(N1c(cc2)ccc2Cl)=O)/SC1=S |
| InChI | InChI=1S/C23H20ClN3O2S2/c24-15-8-10-16(11-9-15)27-22(29)20(31-23(27)30)19-17-6-2-3-7-18(17)26(21(19)28)14-25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-14H2 |
| InChIK | WQMHAQDVHIZSSK-UHFFFAOYSA-N |
| TotalMolweight | 470.016 |
| Molweight | 470.016 |
| MonoisotopicMass | 469.068544 |
| CLogP | 3.1079 |
| CLogS | -6.22 |
| H Acceptors | 5 |
| TotalSurfaceArea | 330.02 |
| Relative PSA | 0.24914 |
| PolarSurfaceArea | 101.25 |
| Druglikeness | 3.2744 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | methanediamine |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-3-(4-chlorophenyl)-5-[2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(4-chlorophenyl)-5-[2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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