N'-[5-[(4-chloroanilino)methyl]-2-imino-4-oxo-1,3-thiazolidin-3-yl]-N-phenyliminobenzenecarboximidamide
Formula:C23H19N6OClS
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
N'-[5-[(4-chloroanilino)methyl]-2-imino-4-oxo-1,3-thiazolidin-3-yl]-N-phenyliminobenzenecarboximidamide is a drug-like molecule.
| MolName | N'-[5-[(4-chloroanilino)methyl]-2-imino-4-oxo-1,3-thiazolidin-3-yl]-N-phenyliminobenzenecarboximidamide |
| MolecularFormula | C23H19N6OClS |
| Smiles | N=C(N1/N=C(\c2ccccc2)/N=N/c2ccccc2)SC(CNc(cc2)ccc2Cl)C1=O |
| InChI | InChI=1S/C23H19ClN6OS/c24-17-11-13-18(14-12-17)26-15-20-22(31)30(23(25)32-20)29-21(16-7-3-1-4-8-16)28-27-19-9-5-2-6-10-19/h1-14,20,25-26H,15H2/t20-/m0/s1 |
| InChIK | SWJZHTLLSOATIO-FQEVSTJZSA-N |
| TotalMolweight | 462.964 |
| Molweight | 462.964 |
| MonoisotopicMass | 462.102956 |
| CLogP | 4.616 |
| CLogS | -5.827 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 344.26 |
| Relative PSA | 0.2779 |
| PolarSurfaceArea | 118.57 |
| Druglikeness | 1.59 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | azo |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon | racemate |
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1 - N'-[5-[(4-chloroanilino)methyl]-2-imino-4-oxo-1,3-thiazolidin-3-yl]-N-phenyliminobenzenecarboximidamide | 2 - N'-[5-[(4-chloroanilino)methyl]-2-imino-4-oxo-1,3-thiazolidin-3-yl]-N-phenyliminobenzenecarboximidamide
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