N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-bromo-2-phenylmethoxybenzamide
Formula:C22H17N2O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-bromo-2-phenylmethoxybenzamide is not a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-bromo-2-phenylmethoxybenzamide |
| MolecularFormula | C22H17N2O4Br |
| Smiles | O=C(c(ccc(Br)c1)c1OCc1ccccc1)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C22H17BrN2O4/c23-17-7-8-18(20(11-17)27-13-15-4-2-1-3-5-15)22(26)25-24-12-16-6-9-19-21(10-16)29-14-28-19/h1-12H,13-14H2,(H,25,26) |
| InChIK | NGDPVWPPQZVDTC-UHFFFAOYSA-N |
| TotalMolweight | 453.291 |
| Molweight | 453.291 |
| MonoisotopicMass | 452.037169 |
| CLogP | 5.3863 |
| CLogS | -6.607 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 309.4 |
| Relative PSA | 0.21335 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | 2.1673 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| 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)-1,3-benzodioxol-5-ylmethylideneamino]-4-bromo-2-phenylmethoxybenzamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-bromo-2-phenylmethoxybenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off