(E)-2-cyano-3-[4-[(2-cyanophenyl)methoxy]phenyl]-N-cyclohexylprop-2-enamide
Formula:C24H23N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-3-[4-[(2-cyanophenyl)methoxy]phenyl]-N-cyclohexylprop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-[4-[(2-cyanophenyl)methoxy]phenyl]-N-cyclohexylprop-2-enamide |
| MolecularFormula | C24H23N3O2 |
| Smiles | N#C/C(/C(NC1CCCCC1)=O)=C\c(cc1)ccc1OCc(cccc1)c1C#N |
| InChI | InChI=1S/C24H23N3O2/c25-15-19-6-4-5-7-20(19)17-29-23-12-10-18(11-13-23)14-21(16-26)24(28)27-22-8-2-1-3-9-22/h4-7,10-14,22H,1-3,8-9,17H2,(H,27,28) |
| InChIK | MCFYCHNVLIBCKZ-UHFFFAOYSA-N |
| TotalMolweight | 385.466 |
| Molweight | 385.466 |
| MonoisotopicMass | 385.179027 |
| CLogP | 4.019 |
| CLogS | -5.951 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 321.92 |
| Relative PSA | 0.19141 |
| PolarSurfaceArea | 85.91 |
| Druglikeness | -5.9907 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (E)-2-cyano-3-[4-[(2-cyanophenyl)methoxy]phenyl]-N-cyclohexylprop-2-enamide | 2 - (E)-2-cyano-3-[4-[(2-cyanophenyl)methoxy]phenyl]-N-cyclohexylprop-2-enamide
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