(2Z)-2-cyano-2-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide
Formula:C27H20N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-2-cyano-2-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide is a drug-like molecule.
| MolName | (2Z)-2-cyano-2-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide |
| MolecularFormula | C27H20N4O4S |
| Smiles | N#C/C(/C(NCCc1ccccc1)=O)=C(\N(C1=O)c2ccccc2)/S/C1=C/c1cc([N+]([O-])=O)ccc1 |
| InChI | InChI=1S/C27H20N4O4S/c28-18-23(25(32)29-15-14-19-8-3-1-4-9-19)27-30(21-11-5-2-6-12-21)26(33)24(36-27)17-20-10-7-13-22(16-20)31(34)35/h1-13,16-17H,14-15H2,(H,29,32) |
| InChIK | UXCKVIDGSFVXNE-UHFFFAOYSA-N |
| TotalMolweight | 496.546 |
| Molweight | 496.546 |
| MonoisotopicMass | 496.120526 |
| CLogP | 3.9324 |
| CLogS | -6.701 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 374.56 |
| Relative PSA | 0.27381 |
| PolarSurfaceArea | 144.32 |
| Druglikeness | -3.9685 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB; aromatic nitro |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-2-cyano-2-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide | 2 - (2Z)-2-cyano-2-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide
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