4-[(Z)-[2-benzylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]benzonitrile
Formula:C22H16N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[2-benzylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]benzonitrile is a drug-like molecule.
| MolName | 4-[(Z)-[2-benzylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]benzonitrile |
| MolecularFormula | C22H16N4OS |
| Smiles | N#Cc1ccc(/C=N\N(C(c2ccco2)=CS2)/C2=N/Cc2ccccc2)cc1 |
| InChI | InChI=1S/C22H16N4OS/c23-13-17-8-10-19(11-9-17)15-25-26-20(21-7-4-12-27-21)16-28-22(26)24-14-18-5-2-1-3-6-18/h1-12,15-16H,14H2 |
| InChIK | POWOERGBFJABEA-UHFFFAOYSA-N |
| TotalMolweight | 384.462 |
| Molweight | 384.462 |
| MonoisotopicMass | 384.104481 |
| CLogP | 4.4924 |
| CLogS | -6.25 |
| H Acceptors | 5 |
| TotalSurfaceArea | 304.67 |
| Relative PSA | 0.23544 |
| PolarSurfaceArea | 90.19 |
| Druglikeness | -0.18403 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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