(Z)-N-benzyl-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enamide
Formula:C24H19N2O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-benzyl-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (Z)-N-benzyl-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enamide |
| MolecularFormula | C24H19N2O2F |
| Smiles | N#C/C(/C(NCc1ccccc1)=O)=C/c(cc1)ccc1OCc(cccc1)c1F |
| InChI | InChI=1S/C24H19FN2O2/c25-23-9-5-4-8-20(23)17-29-22-12-10-18(11-13-22)14-21(15-26)24(28)27-16-19-6-2-1-3-7-19/h1-14H,16-17H2,(H,27,28) |
| InChIK | RCWQHRIZCNYZRI-UHFFFAOYSA-N |
| TotalMolweight | 386.425 |
| Molweight | 386.425 |
| MonoisotopicMass | 386.143056 |
| CLogP | 4.1466 |
| CLogS | -5.241 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 312.28 |
| Relative PSA | 0.1539 |
| PolarSurfaceArea | 62.12 |
| Druglikeness | -2.8562 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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