(3R)-N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Formula:C14H11N2O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3R)-N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | (3R)-N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide |
| MolecularFormula | C14H11N2O3BrS |
| Smiles | O=C([C@@H]1Oc(cccc2)c2OC1)N/N=C\c1cc(Br)cs1 |
| InChI | InChI=1S/C14H11BrN2O3S/c15-9-5-10(21-8-9)6-16-17-14(18)13-7-19-11-3-1-2-4-12(11)20-13/h1-6,8,13H,7H2,(H,17,18)/t13-/m1/s1 |
| InChIK | LWWPCMSMTFJTED-CYBMUJFWSA-N |
| TotalMolweight | 367.222 |
| Molweight | 367.222 |
| MonoisotopicMass | 365.967374 |
| CLogP | 3.3355 |
| CLogS | -4.587 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 234.32 |
| Relative PSA | 0.32592 |
| PolarSurfaceArea | 88.16 |
| Druglikeness | 0.70802 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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)-(4-bromothiophen-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide | 2 - (3R)-N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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