(3S)-N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Formula:C17H16N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3S)-N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | (3S)-N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide |
| MolecularFormula | C17H16N4O4 |
| Smiles | O=C(CNC([C@H]1Oc(cccc2)c2OC1)=O)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C17H16N4O4/c22-16(21-20-9-12-4-3-7-18-8-12)10-19-17(23)15-11-24-13-5-1-2-6-14(13)25-15/h1-9,15H,10-11H2,(H,19,23)(H,21,22)/t15-/m0/s1 |
| InChIK | SCEVBIUWFHLRCO-HNNXBMFYSA-N |
| TotalMolweight | 340.338 |
| Molweight | 340.338 |
| MonoisotopicMass | 340.117156 |
| CLogP | 0.8265 |
| CLogS | -2.715 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 261.48 |
| Relative PSA | 0.34985 |
| PolarSurfaceArea | 101.91 |
| Druglikeness | 6.2081 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (3S)-N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide | 2 - (3S)-N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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