(2Z)-N-(4-chlorophenyl)-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
Formula:C25H16N3O2Cl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-N-(4-chlorophenyl)-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide is not a drug-like molecule.
| MolName | (2Z)-N-(4-chlorophenyl)-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide |
| MolecularFormula | C25H16N3O2Cl3S |
| Smiles | N#C/C(/C(Nc(cc1)ccc1Cl)=O)=C(\N1c2ccccc2)/SC(Cc(cc2)cc(Cl)c2Cl)C1=O |
| InChI | InChI=1S/C25H16Cl3N3O2S/c26-16-7-9-17(10-8-16)30-23(32)19(14-29)25-31(18-4-2-1-3-5-18)24(33)22(34-25)13-15-6-11-20(27)21(28)12-15/h1-12,22H,13H2,(H,30,32)/t22-/m0/s1 |
| InChIK | MEJTUPQTWVEIHW-QFIPXVFZSA-N |
| TotalMolweight | 528.846 |
| Molweight | 528.846 |
| MonoisotopicMass | 527.002878 |
| CLogP | 6.5331 |
| CLogS | -8.022 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 371.18 |
| Relative PSA | 0.19435 |
| PolarSurfaceArea | 98.5 |
| Druglikeness | 1.2571 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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)-N-(4-chlorophenyl)-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide | 2 - (2Z)-N-(4-chlorophenyl)-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
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