N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide
Formula:C23H17N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C23H17N3O4 |
| Smiles | N#Cc1c(COc2ccc(/C=N\NC(c(cc3)cc4c3OCO4)=O)cc2)cccc1 |
| InChI | InChI=1S/C23H17N3O4/c24-12-18-3-1-2-4-19(18)14-28-20-8-5-16(6-9-20)13-25-26-23(27)17-7-10-21-22(11-17)30-15-29-21/h1-11,13H,14-15H2,(H,26,27) |
| InChIK | VDPSTKBOOFJXTQ-UHFFFAOYSA-N |
| TotalMolweight | 399.405 |
| Molweight | 399.405 |
| MonoisotopicMass | 399.121907 |
| CLogP | 4.4967 |
| CLogS | -6.546 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 312.48 |
| Relative PSA | 0.25464 |
| PolarSurfaceArea | 92.94 |
| Druglikeness | -0.3227 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide | 2 - N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off