(3S)-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Formula:C17H14N2O4F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3S)-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | (3S)-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide |
| MolecularFormula | C17H14N2O4F2 |
| Smiles | O=C([C@H]1Oc(cccc2)c2OC1)N/N=C\c(cccc1)c1OC(F)F |
| InChI | InChI=1S/C17H14F2N2O4/c18-17(19)25-12-6-2-1-5-11(12)9-20-21-16(22)15-10-23-13-7-3-4-8-14(13)24-15/h1-9,15,17H,10H2,(H,21,22)/t15-/m0/s1 |
| InChIK | CTHZSADMNRUIDJ-HNNXBMFYSA-N |
| TotalMolweight | 348.304 |
| Molweight | 348.304 |
| MonoisotopicMass | 348.092164 |
| CLogP | 2.9131 |
| CLogS | -4.365 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 254.95 |
| Relative PSA | 0.25891 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | 2.1175 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (3S)-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide | 2 - (3S)-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off