(3S)-N-[(Z)-(4-phenylphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Formula:C22H18N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3S)-N-[(Z)-(4-phenylphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | (3S)-N-[(Z)-(4-phenylphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide |
| MolecularFormula | C22H18N2O3 |
| Smiles | O=C([C@H]1Oc(cccc2)c2OC1)N/N=C\c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C22H18N2O3/c25-22(21-15-26-19-8-4-5-9-20(19)27-21)24-23-14-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h1-14,21H,15H2,(H,24,25)/t21-/m0/s1 |
| InChIK | YHNXJFHGGAEPOA-NRFANRHFSA-N |
| TotalMolweight | 358.396 |
| Molweight | 358.396 |
| MonoisotopicMass | 358.131743 |
| CLogP | 4.4029 |
| CLogS | -5.829 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 279.51 |
| Relative PSA | 0.20039 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 4.9206 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (3S)-N-[(Z)-(4-phenylphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide | 2 - (3S)-N-[(Z)-(4-phenylphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off