N'-[5-(anilinomethyl)-2-imino-4-oxo-1,3-thiazolidin-3-yl]-N-phenyliminobenzenecarboximidamide
Formula:C23H20N6OS
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
N'-[5-(anilinomethyl)-2-imino-4-oxo-1,3-thiazolidin-3-yl]-N-phenyliminobenzenecarboximidamide is a drug-like molecule.
| MolName | N'-[5-(anilinomethyl)-2-imino-4-oxo-1,3-thiazolidin-3-yl]-N-phenyliminobenzenecarboximidamide |
| MolecularFormula | C23H20N6OS |
| Smiles | N=C(N1/N=C(\c2ccccc2)/N=N/c2ccccc2)SC(CNc2ccccc2)C1=O |
| InChI | InChI=1S/C23H20N6OS/c24-23-29(22(30)20(31-23)16-25-18-12-6-2-7-13-18)28-21(17-10-4-1-5-11-17)27-26-19-14-8-3-9-15-19/h1-15,20,24-25H,16H2/t20-/m0/s1 |
| InChIK | VDMKKOYAEJZAJJ-FQEVSTJZSA-N |
| TotalMolweight | 428.519 |
| Molweight | 428.519 |
| MonoisotopicMass | 428.141929 |
| CLogP | 4.01 |
| CLogS | -5.091 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 328.84 |
| Relative PSA | 0.29093 |
| PolarSurfaceArea | 118.57 |
| Druglikeness | 1.5624 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | azo |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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-(anilinomethyl)-2-imino-4-oxo-1,3-thiazolidin-3-yl]-N-phenyliminobenzenecarboximidamide | 2 - N'-[5-(anilinomethyl)-2-imino-4-oxo-1,3-thiazolidin-3-yl]-N-phenyliminobenzenecarboximidamide
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