3-benzyl-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide
Formula:C27H25N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-benzyl-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide is a drug-like molecule.
| MolName | 3-benzyl-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide |
| MolecularFormula | C27H25N5O3 |
| Smiles | O=C(C(c1c2cccc1)=NN(Cc1ccccc1)C2=O)N/N=C\c(cc1)ccc1N1CCOCC1 |
| InChI | InChI=1S/C27H25N5O3/c33-26(29-28-18-20-10-12-22(13-11-20)31-14-16-35-17-15-31)25-23-8-4-5-9-24(23)27(34)32(30-25)19-21-6-2-1-3-7-21/h1-13,18H,14-17,19H2,(H,29,33) |
| InChIK | QUKPKRRQWQHPFB-UHFFFAOYSA-N |
| TotalMolweight | 467.528 |
| Molweight | 467.528 |
| MonoisotopicMass | 467.19574 |
| CLogP | 3.3511 |
| CLogS | -5.483 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 359.87 |
| Relative PSA | 0.2158 |
| PolarSurfaceArea | 86.6 |
| Druglikeness | 7.0952 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-benzyl-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide | 2 - 3-benzyl-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off