N-[(1R)-2-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
Formula:C28H21N5O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(1R)-2-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide is a drug-like molecule.
| MolName | N-[(1R)-2-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide |
| MolecularFormula | C28H21N5O3 |
| Smiles | O=C([C@@H](C(c1c2cccc1)=NNC2=O)NC(c1ccccc1)=O)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C28H21N5O3/c34-26(19-10-2-1-3-11-19)30-25(24-22-15-6-7-16-23(22)27(35)33-31-24)28(36)32-29-17-20-13-8-12-18-9-4-5-14-21(18)20/h1-17,25H,(H,30,34)(H,32,36)(H,33,35)/t25-/m1/s1 |
| InChIK | FWUWEAZKNWCZME-RUZDIDTESA-N |
| TotalMolweight | 475.507 |
| Molweight | 475.507 |
| MonoisotopicMass | 475.16444 |
| CLogP | 4.3275 |
| CLogS | -7.483 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 361.74 |
| Relative PSA | 0.26682 |
| PolarSurfaceArea | 112.02 |
| Druglikeness | 6.9626 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - N-[(1R)-2-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide | 2 - N-[(1R)-2-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
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