N-[(Z)-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide
Formula:C22H15N2O4Br2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C22H15N2O4Br2Cl |
| Smiles | O=C(c(cc1)cc2c1OCO2)N/N=C\c(cc1Br)cc(Br)c1OCc(cc1)ccc1Cl |
| InChI | InChI=1S/C22H15Br2ClN2O4/c23-17-7-14(8-18(24)21(17)29-11-13-1-4-16(25)5-2-13)10-26-27-22(28)15-3-6-19-20(9-15)31-12-30-19/h1-10H,11-12H2,(H,27,28) |
| InChIK | OOMCJYSZCHIJQZ-UHFFFAOYSA-N |
| TotalMolweight | 566.632 |
| Molweight | 566.632 |
| MonoisotopicMass | 563.908707 |
| CLogP | 6.7175 |
| CLogS | -8.177 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 343.45 |
| Relative PSA | 0.1922 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | 2.203 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide | 2 - N-[(Z)-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off