N-[(1R)-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)-2-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
Formula:C30H23N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(1R)-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)-2-[(2Z)-2-[(3-phenoxyphenyl)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-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide |
| MolecularFormula | C30H23N5O4 |
| Smiles | O=C([C@@H](C(c1c2cccc1)=NNC2=O)NC(c1ccccc1)=O)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C30H23N5O4/c36-28(21-11-3-1-4-12-21)32-27(26-24-16-7-8-17-25(24)29(37)35-33-26)30(38)34-31-19-20-10-9-15-23(18-20)39-22-13-5-2-6-14-22/h1-19,27H,(H,32,36)(H,34,38)(H,35,37)/t27-/m1/s1 |
| InChIK | OPHOJMLXRQUCRA-HHHXNRCGSA-N |
| TotalMolweight | 517.544 |
| Molweight | 517.544 |
| MonoisotopicMass | 517.175005 |
| CLogP | 4.5287 |
| CLogS | -8.174 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 396.9 |
| Relative PSA | 0.26838 |
| PolarSurfaceArea | 121.25 |
| Druglikeness | 6.8701 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48718 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| 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-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide | 2 - N-[(1R)-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)-2-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
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