(E)-N-[(4-chlorophenyl)methyl]-2-cyano-3-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]prop-2-enamide
Formula:C24H24N3O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[(4-chlorophenyl)methyl]-2-cyano-3-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[(4-chlorophenyl)methyl]-2-cyano-3-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]prop-2-enamide |
| MolecularFormula | C24H24N3O4Cl |
| Smiles | N#C/C(/C(NCc(cc1)ccc1Cl)=O)=C\c(cc1)ccc1OCC(NCC1OCCC1)=O |
| InChI | InChI=1S/C24H24ClN3O4/c25-20-7-3-18(4-8-20)14-28-24(30)19(13-26)12-17-5-9-21(10-6-17)32-16-23(29)27-15-22-2-1-11-31-22/h3-10,12,22H,1-2,11,14-16H2,(H,27,29)(H,28,30)/t22-/m1/s1 |
| InChIK | JRVKJJOILMVFGQ-JOCHJYFZSA-N |
| TotalMolweight | 453.925 |
| Molweight | 453.925 |
| MonoisotopicMass | 453.145534 |
| CLogP | 2.6172 |
| CLogS | -4.792 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 354.84 |
| Relative PSA | 0.23267 |
| PolarSurfaceArea | 100.45 |
| Druglikeness | -2.3276 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-N-[(4-chlorophenyl)methyl]-2-cyano-3-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]prop-2-enamide | 2 - (E)-N-[(4-chlorophenyl)methyl]-2-cyano-3-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]prop-2-enamide
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