4-[(2-bromophenoxy)methyl]-N-[(Z)-furan-3-ylmethylideneamino]benzamide
Formula:C19H15N2O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2-bromophenoxy)methyl]-N-[(Z)-furan-3-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 4-[(2-bromophenoxy)methyl]-N-[(Z)-furan-3-ylmethylideneamino]benzamide |
| MolecularFormula | C19H15N2O3Br |
| Smiles | O=C(c1ccc(COc(cccc2)c2Br)cc1)N/N=C\c1cocc1 |
| InChI | InChI=1S/C19H15BrN2O3/c20-17-3-1-2-4-18(17)25-13-14-5-7-16(8-6-14)19(23)22-21-11-15-9-10-24-12-15/h1-12H,13H2,(H,22,23) |
| InChIK | XHSJIBWMWPBUNB-UHFFFAOYSA-N |
| TotalMolweight | 399.243 |
| Molweight | 399.243 |
| MonoisotopicMass | 398.026604 |
| CLogP | 4.4096 |
| CLogS | -5.554 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 278.83 |
| Relative PSA | 0.21562 |
| PolarSurfaceArea | 63.83 |
| Druglikeness | 2.1383 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - 4-[(2-bromophenoxy)methyl]-N-[(Z)-furan-3-ylmethylideneamino]benzamide | 2 - 4-[(2-bromophenoxy)methyl]-N-[(Z)-furan-3-ylmethylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off