4-[5-[(Z)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide
Formula:C23H17N5O3S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-[5-[(Z)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide is not a drug-like molecule.
| MolName | 4-[5-[(Z)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide |
| MolecularFormula | C23H17N5O3S2 |
| Smiles | NS(c(cc1)ccc1-c1ccc(/C=N\Nc2ncnc3c2c(-c2ccccc2)cs3)o1)(=O)=O |
| InChI | InChI=1S/C23H17N5O3S2/c24-33(29,30)18-9-6-16(7-10-18)20-11-8-17(31-20)12-27-28-22-21-19(15-4-2-1-3-5-15)13-32-23(21)26-14-25-22/h1-14H,(H2,24,29,30)(H,25,26,28) |
| InChIK | XPUBWGJEFWCSLZ-UHFFFAOYSA-N |
| TotalMolweight | 475.552 |
| Molweight | 475.552 |
| MonoisotopicMass | 475.07728 |
| CLogP | 6.0266 |
| CLogS | -8.081 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 343.61 |
| Relative PSA | 0.35863 |
| PolarSurfaceArea | 160.09 |
| Druglikeness | 5.0688 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 4-[5-[(Z)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide | 2 - 4-[5-[(Z)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide
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