4-[(Z)-[2-cyclohexylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]benzonitrile
Formula:C21H20N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[2-cyclohexylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]benzonitrile is a drug-like molecule.
| MolName | 4-[(Z)-[2-cyclohexylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]benzonitrile |
| MolecularFormula | C21H20N4OS |
| Smiles | N#Cc1ccc(/C=N\N(C(c2ccco2)=CS2)/C2=N/C2CCCCC2)cc1 |
| InChI | InChI=1S/C21H20N4OS/c22-13-16-8-10-17(11-9-16)14-23-25-19(20-7-4-12-26-20)15-27-21(25)24-18-5-2-1-3-6-18/h4,7-12,14-15,18H,1-3,5-6H2 |
| InChIK | VYYUPAUDVBURBD-UHFFFAOYSA-N |
| TotalMolweight | 376.483 |
| Molweight | 376.483 |
| MonoisotopicMass | 376.135781 |
| CLogP | 4.63 |
| CLogS | -6.501 |
| H Acceptors | 5 |
| TotalSurfaceArea | 298.95 |
| Relative PSA | 0.23994 |
| PolarSurfaceArea | 90.19 |
| Druglikeness | -6.9914 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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