(2Z)-2-(5-benzyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-2-cyano-N-(2,5-dichlorophenyl)acetamide
Formula:C25H17N3O2Cl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(2Z)-2-(5-benzyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-2-cyano-N-(2,5-dichlorophenyl)acetamide is not a drug-like molecule.
| MolName | (2Z)-2-(5-benzyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-2-cyano-N-(2,5-dichlorophenyl)acetamide |
| MolecularFormula | C25H17N3O2Cl2S |
| Smiles | N#C/C(/C(Nc(cc(cc1)Cl)c1Cl)=O)=C(\N1c2ccccc2)/SC(Cc2ccccc2)C1=O |
| InChI | InChI=1S/C25H17Cl2N3O2S/c26-17-11-12-20(27)21(14-17)29-23(31)19(15-28)25-30(18-9-5-2-6-10-18)24(32)22(33-25)13-16-7-3-1-4-8-16/h1-12,14,22H,13H2,(H,29,31)/t22-/m1/s1 |
| InChIK | XBMQIUXEBAQTLC-JOCHJYFZSA-N |
| TotalMolweight | 494.401 |
| Molweight | 494.401 |
| MonoisotopicMass | 493.041851 |
| CLogP | 5.9271 |
| CLogS | -7.286 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 355.76 |
| Relative PSA | 0.20278 |
| PolarSurfaceArea | 98.5 |
| Druglikeness | 1.2571 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2Z)-2-(5-benzyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-2-cyano-N-(2,5-dichlorophenyl)acetamide | 2 - (2Z)-2-(5-benzyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-2-cyano-N-(2,5-dichlorophenyl)acetamide
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