(2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
Formula:C24H16N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide is a drug-like molecule.
| MolName | (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide |
| MolecularFormula | C24H16N4O5S |
| Smiles | N#C/C(/C(NCc1ccco1)=O)=C(\N(C1=O)c2ccccc2)/S/C1=C/c1cc([N+]([O-])=O)ccc1 |
| InChI | InChI=1S/C24H16N4O5S/c25-14-20(22(29)26-15-19-10-5-11-33-19)24-27(17-7-2-1-3-8-17)23(30)21(34-24)13-16-6-4-9-18(12-16)28(31)32/h1-13H,15H2,(H,26,29) |
| InChIK | CWHKWAQUQPKSTR-UHFFFAOYSA-N |
| TotalMolweight | 472.48 |
| Molweight | 472.48 |
| MonoisotopicMass | 472.084141 |
| CLogP | 2.691 |
| CLogS | -6.271 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 350.49 |
| Relative PSA | 0.33288 |
| PolarSurfaceArea | 157.46 |
| Druglikeness | -4.2446 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB; aromatic nitro |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide | 2 - (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
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