N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
Formula:C25H19N3O3F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide |
| MolecularFormula | C25H19N3O3F2 |
| Smiles | O=C(c1ccc(COc2cccc3cccnc23)cc1)N/N=C\c(cccc1)c1OC(F)F |
| InChI | InChI=1S/C25H19F2N3O3/c26-25(27)33-21-8-2-1-5-20(21)15-29-30-24(31)19-12-10-17(11-13-19)16-32-22-9-3-6-18-7-4-14-28-23(18)22/h1-15,25H,16H2,(H,30,31) |
| InChIK | JXTZRTCWDAEOGH-UHFFFAOYSA-N |
| TotalMolweight | 447.44 |
| Molweight | 447.44 |
| MonoisotopicMass | 447.139448 |
| CLogP | 5.0351 |
| CLogS | -6.39 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 339.07 |
| Relative PSA | 0.19754 |
| PolarSurfaceArea | 72.81 |
| Druglikeness | 1.237 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide | 2 - N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off