N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide
Formula:C27H22N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide |
| MolecularFormula | C27H22N2O4 |
| Smiles | O=C(C1Oc2cc3ccccc3cc2OC1)N/N=C\c1cc(OCc2ccccc2)ccc1 |
| InChI | InChI=1S/C27H22N2O4/c30-27(26-18-32-24-14-21-10-4-5-11-22(21)15-25(24)33-26)29-28-16-20-9-6-12-23(13-20)31-17-19-7-2-1-3-8-19/h1-16,26H,17-18H2,(H,29,30)/t26-/m0/s1 |
| InChIK | UDEMVASRFKDHDL-SANMLTNESA-N |
| TotalMolweight | 438.482 |
| Molweight | 438.482 |
| MonoisotopicMass | 438.157958 |
| CLogP | 5.2862 |
| CLogS | -6.69 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 337.87 |
| Relative PSA | 0.19537 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | 4.9206 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon | racemate |
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1 - N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide | 2 - N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide
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