(5Z)-3-(4-chlorophenyl)-5-[1-(morpholin-4-ylmethyl)-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C22H18N3O3ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(4-chlorophenyl)-5-[1-(morpholin-4-ylmethyl)-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(4-chlorophenyl)-5-[1-(morpholin-4-ylmethyl)-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C22H18N3O3ClS2 |
| Smiles | O=C1N(CN2CCOCC2)c(cccc2)c2/C1=C(\C(N1c(cc2)ccc2Cl)=O)/SC1=S |
| InChI | InChI=1S/C22H18ClN3O3S2/c23-14-5-7-15(8-6-14)26-21(28)19(31-22(26)30)18-16-3-1-2-4-17(16)25(20(18)27)13-24-9-11-29-12-10-24/h1-8H,9-13H2 |
| InChIK | OPTOYBZSKVISPX-UHFFFAOYSA-N |
| TotalMolweight | 471.988 |
| Molweight | 471.988 |
| MonoisotopicMass | 471.047809 |
| CLogP | 1.9439 |
| CLogS | -5.331 |
| H Acceptors | 6 |
| TotalSurfaceArea | 326.26 |
| Relative PSA | 0.28266 |
| PolarSurfaceArea | 110.48 |
| Druglikeness | 4.1498 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | methanediamine |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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-[1-(morpholin-4-ylmethyl)-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(4-chlorophenyl)-5-[1-(morpholin-4-ylmethyl)-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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