N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
Formula:C25H19N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(quinolin-8-yloxymethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(quinolin-8-yloxymethyl)benzamide |
| MolecularFormula | C25H19N3O4 |
| Smiles | O=C(c1ccc(COc2cccc3cccnc23)cc1)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C25H19N3O4/c29-25(28-27-14-18-8-11-21-23(13-18)32-16-31-21)20-9-6-17(7-10-20)15-30-22-5-1-3-19-4-2-12-26-24(19)22/h1-14H,15-16H2,(H,28,29) |
| InChIK | LXXJOHUPYSQCHB-UHFFFAOYSA-N |
| TotalMolweight | 425.443 |
| Molweight | 425.443 |
| MonoisotopicMass | 425.137557 |
| CLogP | 4.9771 |
| CLogS | -6.479 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 324.13 |
| Relative PSA | 0.2375 |
| PolarSurfaceArea | 82.04 |
| Druglikeness | 3.9573 |
| 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 | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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