N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide
Formula:C25H17N2O4F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide |
| MolecularFormula | C25H17N2O4F3 |
| Smiles | O=C(C1Oc2cc3ccccc3cc2OC1)N/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 |
| InChI | InChI=1S/C25H17F3N2O4/c26-25(27,28)18-7-3-6-17(10-18)20-9-8-19(33-20)13-29-30-24(31)23-14-32-21-11-15-4-1-2-5-16(15)12-22(21)34-23/h1-13,23H,14H2,(H,30,31)/t23-/m0/s1 |
| InChIK | CGNGUCFRMGZOHA-QHCPKHFHSA-N |
| TotalMolweight | 466.414 |
| Molweight | 466.414 |
| MonoisotopicMass | 466.114042 |
| CLogP | 5.7253 |
| CLogS | -7.587 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 333.26 |
| Relative PSA | 0.21041 |
| PolarSurfaceArea | 73.06 |
| Druglikeness | -0.20122 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide | 2 - N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off