(E)-2-cyano-N-cyclopentyl-3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enamide
Formula:C22H20N2O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-cyclopentyl-3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-2-cyano-N-cyclopentyl-3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enamide |
| MolecularFormula | C22H20N2O2Cl2 |
| Smiles | N#C/C(/C(NC1CCCC1)=O)=C\c(cccc1)c1OCc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C22H20Cl2N2O2/c23-18-10-9-16(20(24)12-18)14-28-21-8-4-1-5-15(21)11-17(13-25)22(27)26-19-6-2-3-7-19/h1,4-5,8-12,19H,2-3,6-7,14H2,(H,26,27) |
| InChIK | SCJZYQBOSWTDCK-UHFFFAOYSA-N |
| TotalMolweight | 415.319 |
| Molweight | 415.319 |
| MonoisotopicMass | 414.090182 |
| CLogP | 5.0534 |
| CLogS | -6.38 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 317.29 |
| Relative PSA | 0.15147 |
| PolarSurfaceArea | 62.12 |
| Druglikeness | -3.645 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (E)-2-cyano-N-cyclopentyl-3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enamide | 2 - (E)-2-cyano-N-cyclopentyl-3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enamide
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