4-bromo-N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]benzamide
Formula:C18H17N4O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]benzamide |
| MolecularFormula | C18H17N4O4Br |
| Smiles | [O-][N+](c(cc(/C=N\NC(c(cc1)ccc1Br)=O)cc1)c1N1CCOCC1)=O |
| InChI | InChI=1S/C18H17BrN4O4/c19-15-4-2-14(3-5-15)18(24)21-20-12-13-1-6-16(17(11-13)23(25)26)22-7-9-27-10-8-22/h1-6,11-12H,7-10H2,(H,21,24) |
| InChIK | HYUWEASECPDOOD-UHFFFAOYSA-N |
| TotalMolweight | 433.261 |
| Molweight | 433.261 |
| MonoisotopicMass | 432.043317 |
| CLogP | 2.6742 |
| CLogS | -5.118 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 291.13 |
| Relative PSA | 0.27472 |
| PolarSurfaceArea | 99.75 |
| Druglikeness | -1.7756 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-bromo-N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]benzamide | 2 - 4-bromo-N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off