(3R)-N-[(Z)-thiophen-3-ylmethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Formula:C14H12N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3R)-N-[(Z)-thiophen-3-ylmethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | (3R)-N-[(Z)-thiophen-3-ylmethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide |
| MolecularFormula | C14H12N2O3S |
| Smiles | O=C([C@@H]1Oc(cccc2)c2OC1)N/N=C\c1cscc1 |
| InChI | InChI=1S/C14H12N2O3S/c17-14(16-15-7-10-5-6-20-9-10)13-8-18-11-3-1-2-4-12(11)19-13/h1-7,9,13H,8H2,(H,16,17)/t13-/m1/s1 |
| InChIK | LPYAJGLIVIWAKR-CYBMUJFWSA-N |
| TotalMolweight | 288.326 |
| Molweight | 288.326 |
| MonoisotopicMass | 288.056863 |
| CLogP | 2.5281 |
| CLogS | -3.643 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 215.69 |
| Relative PSA | 0.35407 |
| PolarSurfaceArea | 88.16 |
| Druglikeness | 5.3514 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (3R)-N-[(Z)-thiophen-3-ylmethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide | 2 - (3R)-N-[(Z)-thiophen-3-ylmethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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