N-[(1R)-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)-2-[(2Z)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
Formula:C31H25N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(1R)-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)-2-[(2Z)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide is not a drug-like molecule.
| MolName | N-[(1R)-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)-2-[(2Z)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide |
| MolecularFormula | C31H25N5O4 |
| Smiles | O=C([C@@H](C(c1c2cccc1)=NNC2=O)NC(c1ccccc1)=O)N/N=C\c(cccc1)c1OCc1ccccc1 |
| InChI | InChI=1S/C31H25N5O4/c37-29(22-13-5-2-6-14-22)33-28(27-24-16-8-9-17-25(24)30(38)36-34-27)31(39)35-32-19-23-15-7-10-18-26(23)40-20-21-11-3-1-4-12-21/h1-19,28H,20H2,(H,33,37)(H,35,39)(H,36,38)/t28-/m1/s1 |
| InChIK | FJWRKVMYUWSFCW-MUUNZHRXSA-N |
| TotalMolweight | 531.57 |
| Molweight | 531.57 |
| MonoisotopicMass | 531.190655 |
| CLogP | 4.4812 |
| CLogS | -7.218 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 410.66 |
| Relative PSA | 0.25939 |
| PolarSurfaceArea | 121.25 |
| Druglikeness | 6.6485 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.475 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - N-[(1R)-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)-2-[(2Z)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide | 2 - N-[(1R)-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)-2-[(2Z)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off