4-[(Z)-[2-cyclohexylimino-4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-3-yl]iminomethyl]benzonitrile
Formula:C24H22N4OF2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-[(Z)-[2-cyclohexylimino-4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-3-yl]iminomethyl]benzonitrile is not a drug-like molecule.
| MolName | 4-[(Z)-[2-cyclohexylimino-4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-3-yl]iminomethyl]benzonitrile |
| MolecularFormula | C24H22N4OF2S |
| Smiles | N#Cc1ccc(/C=N\N(C(c(cc2)ccc2OC(F)F)=CS2)/C2=N/C2CCCCC2)cc1 |
| InChI | InChI=1S/C24H22F2N4OS/c25-23(26)31-21-12-10-19(11-13-21)22-16-32-24(29-20-4-2-1-3-5-20)30(22)28-15-18-8-6-17(14-27)7-9-18/h6-13,15-16,20,23H,1-5H2 |
| InChIK | AGBQTPWOLIGXGZ-UHFFFAOYSA-N |
| TotalMolweight | 452.528 |
| Molweight | 452.528 |
| MonoisotopicMass | 452.148237 |
| CLogP | 5.6107 |
| CLogS | -7.441 |
| H Acceptors | 5 |
| TotalSurfaceArea | 344.46 |
| Relative PSA | 0.19631 |
| PolarSurfaceArea | 86.28 |
| Druglikeness | -9.6694 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 7 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-[(Z)-[2-cyclohexylimino-4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-3-yl]iminomethyl]benzonitrile | 2 - 4-[(Z)-[2-cyclohexylimino-4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-3-yl]iminomethyl]benzonitrile
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