N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Formula:C14H11N2O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide |
| MolecularFormula | C14H11N2O3BrS |
| Smiles | O=C(c(cc1)cc2c1OCCO2)N/N=C\c1cc(Br)cs1 |
| InChI | InChI=1S/C14H11BrN2O3S/c15-10-6-11(21-8-10)7-16-17-14(18)9-1-2-12-13(5-9)20-4-3-19-12/h1-2,5-8H,3-4H2,(H,17,18) |
| InChIK | UCBWLUWSOUAJRZ-UHFFFAOYSA-N |
| TotalMolweight | 367.222 |
| Molweight | 367.222 |
| MonoisotopicMass | 365.967374 |
| CLogP | 3.7722 |
| CLogS | -4.747 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 235.58 |
| Relative PSA | 0.32418 |
| PolarSurfaceArea | 88.16 |
| Druglikeness | -7.0359 |
| 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 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| StereoCon |
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1 - N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide | 2 - N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
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