4-bromo-N-[(Z)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
Formula:C23H17N3OBrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]benzamide |
| MolecularFormula | C23H17N3OBrCl |
| Smiles | O=C(c(cc1)ccc1Br)N/N=C\c1cn(Cc(cccc2)c2Cl)c2c1cccc2 |
| InChI | InChI=1S/C23H17BrClN3O/c24-19-11-9-16(10-12-19)23(29)27-26-13-18-15-28(22-8-4-2-6-20(18)22)14-17-5-1-3-7-21(17)25/h1-13,15H,14H2,(H,27,29) |
| InChIK | JNCKBSBFQBHMDN-UHFFFAOYSA-N |
| TotalMolweight | 466.765 |
| Molweight | 466.765 |
| MonoisotopicMass | 465.02435 |
| CLogP | 6.0625 |
| CLogS | -6.269 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 318.36 |
| Relative PSA | 0.13469 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | 4.3695 |
| 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 | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-bromo-N-[(Z)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]benzamide | 2 - 4-bromo-N-[(Z)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off