N-[(Z)-(4-quinazolin-4-yloxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Formula:C24H18N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-quinazolin-4-yloxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-quinazolin-4-yloxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide |
| MolecularFormula | C24H18N4O4 |
| Smiles | O=C(c(cc1)cc2c1OCCO2)N/N=C\c(cc1)ccc1Oc1ncnc2ccccc12 |
| InChI | InChI=1S/C24H18N4O4/c29-23(17-7-10-21-22(13-17)31-12-11-30-21)28-27-14-16-5-8-18(9-6-16)32-24-19-3-1-2-4-20(19)25-15-26-24/h1-10,13-15H,11-12H2,(H,28,29) |
| InChIK | BXUWUMUPEILZMB-UHFFFAOYSA-N |
| TotalMolweight | 426.431 |
| Molweight | 426.431 |
| MonoisotopicMass | 426.132806 |
| CLogP | 4.6811 |
| CLogS | -7.222 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 322.89 |
| Relative PSA | 0.27238 |
| PolarSurfaceArea | 94.93 |
| Druglikeness | -2.8595 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-(4-quinazolin-4-yloxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide | 2 - N-[(Z)-(4-quinazolin-4-yloxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
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