N-[(E)-[4-[4-[hydroxy(phenyl)methylidene]pyridin-1-yl]-2-oxo-1,3-thiazol-5-ylidene]methyl]iminobenzamide
Formula:C23H16N4O3S
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
N-[(E)-[4-[4-[hydroxy(phenyl)methylidene]pyridin-1-yl]-2-oxo-1,3-thiazol-5-ylidene]methyl]iminobenzamide is a drug-like molecule.
| MolName | N-[(E)-[4-[4-[hydroxy(phenyl)methylidene]pyridin-1-yl]-2-oxo-1,3-thiazol-5-ylidene]methyl]iminobenzamide |
| MolecularFormula | C23H16N4O3S |
| Smiles | OC(c1ccccc1)=C(C=C1)C=CN1C(/C(/S1)=C\N=N/C(c2ccccc2)=O)=NC1=O |
| InChI | InChI=1S/C23H16N4O3S/c28-20(16-7-3-1-4-8-16)17-11-13-27(14-12-17)21-19(31-23(30)25-21)15-24-26-22(29)18-9-5-2-6-10-18/h1-15,28H |
| InChIK | XBLVSXCXXQVUGK-UHFFFAOYSA-N |
| TotalMolweight | 428.471 |
| Molweight | 428.471 |
| MonoisotopicMass | 428.094311 |
| CLogP | 2.3721 |
| CLogS | -5.382 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 322.28 |
| Relative PSA | 0.294 |
| PolarSurfaceArea | 119.99 |
| Druglikeness | -3.7041 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | azo |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(E)-[4-[4-[hydroxy(phenyl)methylidene]pyridin-1-yl]-2-oxo-1,3-thiazol-5-ylidene]methyl]iminobenzamide | 2 - N-[(E)-[4-[4-[hydroxy(phenyl)methylidene]pyridin-1-yl]-2-oxo-1,3-thiazol-5-ylidene]methyl]iminobenzamide
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