(2R,3S)-N-[(Z)-furan-2-ylmethylideneamino]-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Formula:C20H16N2O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
(2R,3S)-N-[(Z)-furan-2-ylmethylideneamino]-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | (2R,3S)-N-[(Z)-furan-2-ylmethylideneamino]-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide |
| MolecularFormula | C20H16N2O4 |
| Smiles | O=C([C@H]1Oc(cccc2)c2O[C@@H]1c1ccccc1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C20H16N2O4/c23-20(22-21-13-15-9-6-12-24-15)19-18(14-7-2-1-3-8-14)25-16-10-4-5-11-17(16)26-19/h1-13,18-19H,(H,22,23)/t18-,19+/m1/s1 |
| InChIK | FCDVMPIMSLNVSI-MOPGFXCFSA-N |
| TotalMolweight | 348.357 |
| Molweight | 348.357 |
| MonoisotopicMass | 348.111008 |
| CLogP | 3.4486 |
| CLogS | -4.519 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 267.94 |
| Relative PSA | 0.2617 |
| PolarSurfaceArea | 73.06 |
| Druglikeness | 5.2541 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon | this enantiomer |
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1 - (2R,3S)-N-[(Z)-furan-2-ylmethylideneamino]-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide | 2 - (2R,3S)-N-[(Z)-furan-2-ylmethylideneamino]-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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