N-[(Z)-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylideneamino]furan-2-carboxamide
Formula:C19H21N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylideneamino]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylideneamino]furan-2-carboxamide |
| MolecularFormula | C19H21N3O5 |
| Smiles | O=C(COc1ccc(/C=N\NC(c2ccco2)=O)cc1)NCC1OCCC1 |
| InChI | InChI=1S/C19H21N3O5/c23-18(20-12-16-3-1-9-25-16)13-27-15-7-5-14(6-8-15)11-21-22-19(24)17-4-2-10-26-17/h2,4-8,10-11,16H,1,3,9,12-13H2,(H,20,23)(H,22,24)/t16-/m1/s1 |
| InChIK | MEFYGIHAGIASJJ-MRXNPFEDSA-N |
| TotalMolweight | 371.392 |
| Molweight | 371.392 |
| MonoisotopicMass | 371.148122 |
| CLogP | 1.7038 |
| CLogS | -3.873 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 293.69 |
| Relative PSA | 0.32218 |
| PolarSurfaceArea | 102.16 |
| Druglikeness | 4.0808 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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1 - N-[(Z)-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylideneamino]furan-2-carboxamide | 2 - N-[(Z)-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylideneamino]furan-2-carboxamide
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