(3R)-N-[2-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Formula:C18H17N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3R)-N-[2-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | (3R)-N-[2-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide |
| MolecularFormula | C18H17N3O5 |
| Smiles | Oc1cccc(/C=N\NC(CNC([C@@H]2Oc(cccc3)c3OC2)=O)=O)c1 |
| InChI | InChI=1S/C18H17N3O5/c22-13-5-3-4-12(8-13)9-20-21-17(23)10-19-18(24)16-11-25-14-6-1-2-7-15(14)26-16/h1-9,16,22H,10-11H2,(H,19,24)(H,21,23)/t16-/m1/s1 |
| InChIK | QOSPWZMDUOGUCF-MRXNPFEDSA-N |
| TotalMolweight | 355.349 |
| Molweight | 355.349 |
| MonoisotopicMass | 355.116822 |
| CLogP | 1.4817 |
| CLogS | -3.214 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 269.07 |
| Relative PSA | 0.3479 |
| PolarSurfaceArea | 109.25 |
| Druglikeness | 6.2154 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Amides | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (3R)-N-[2-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide | 2 - (3R)-N-[2-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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