N-[(Z)-benzylideneamino]-2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
Formula:C24H19N4O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-benzylideneamino]-2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide |
| MolecularFormula | C24H19N4O2Br |
| Smiles | O=C(CN(c(ccc(Br)c1)c1C(c1ccccc1)=NC1)C1=O)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C24H19BrN4O2/c25-19-11-12-21-20(13-19)24(18-9-5-2-6-10-18)26-15-23(31)29(21)16-22(30)28-27-14-17-7-3-1-4-8-17/h1-14H,15-16H2,(H,28,30) |
| InChIK | IVWMCNFNTYGTGL-UHFFFAOYSA-N |
| TotalMolweight | 475.345 |
| Molweight | 475.345 |
| MonoisotopicMass | 474.069137 |
| CLogP | 4.2907 |
| CLogS | -6.637 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 330.42 |
| Relative PSA | 0.19403 |
| PolarSurfaceArea | 74.13 |
| Druglikeness | 5.4498 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-benzylideneamino]-2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide | 2 - N-[(Z)-benzylideneamino]-2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off