N-[2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Formula:C18H16N3O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide |
| MolecularFormula | C18H16N3O4Br |
| Smiles | O=C(CNC(C1Oc(cccc2)c2OC1)=O)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C18H16BrN3O4/c19-13-7-5-12(6-8-13)9-21-22-17(23)10-20-18(24)16-11-25-14-3-1-2-4-15(14)26-16/h1-9,16H,10-11H2,(H,20,24)(H,22,23)/t16-/m0/s1 |
| InChIK | SACWATKKXWFFMN-INIZCTEOSA-N |
| TotalMolweight | 418.246 |
| Molweight | 418.246 |
| MonoisotopicMass | 417.032418 |
| CLogP | 2.5526 |
| CLogS | -4.344 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 281.35 |
| Relative PSA | 0.28616 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | 4.4181 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| 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 | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-[2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide | 2 - N-[2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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