(2Z)-2-[5-[(2-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
Formula:C23H20N3O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-2-[5-[(2-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile is a drug-like molecule.
| MolName | (2Z)-2-[5-[(2-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile |
| MolecularFormula | C23H20N3O3ClS |
| Smiles | N#C/C(/C(N1CCOCC1)=O)=C(\N1c2ccccc2)/SC(Cc(cccc2)c2Cl)C1=O |
| InChI | InChI=1S/C23H20ClN3O3S/c24-19-9-5-4-6-16(19)14-20-22(29)27(17-7-2-1-3-8-17)23(31-20)18(15-25)21(28)26-10-12-30-13-11-26/h1-9,20H,10-14H2/t20-/m0/s1 |
| InChIK | XNJOOTSUTMAJAO-FQEVSTJZSA-N |
| TotalMolweight | 453.949 |
| Molweight | 453.949 |
| MonoisotopicMass | 453.091389 |
| CLogP | 3.8479 |
| CLogS | -4.748 |
| H Acceptors | 6 |
| TotalSurfaceArea | 330.96 |
| Relative PSA | 0.22429 |
| PolarSurfaceArea | 98.94 |
| Druglikeness | 1.2234 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2Z)-2-[5-[(2-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile | 2 - (2Z)-2-[5-[(2-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
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