(E)-2-cyano-N-(furan-2-ylmethyl)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enamide
Formula:C23H20N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-(furan-2-ylmethyl)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-(furan-2-ylmethyl)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enamide |
| MolecularFormula | C23H20N2O4 |
| Smiles | N#C/C(/C(NCc1ccco1)=O)=C\c(cc1)ccc1OCCOc1ccccc1 |
| InChI | InChI=1S/C23H20N2O4/c24-16-19(23(26)25-17-22-7-4-12-27-22)15-18-8-10-21(11-9-18)29-14-13-28-20-5-2-1-3-6-20/h1-12,15H,13-14,17H2,(H,25,26) |
| InChIK | GQPQTNXCRZTYOD-UHFFFAOYSA-N |
| TotalMolweight | 388.422 |
| Molweight | 388.422 |
| MonoisotopicMass | 388.142308 |
| CLogP | 3.2414 |
| CLogS | -4.536 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 319.38 |
| Relative PSA | 0.22597 |
| PolarSurfaceArea | 84.49 |
| Druglikeness | -8.5451 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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