3-benzyl-N-[(Z)-(4-bromophenyl)methylideneamino]-4-oxophthalazine-1-carboxamide
Formula:C23H17N4O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-benzyl-N-[(Z)-(4-bromophenyl)methylideneamino]-4-oxophthalazine-1-carboxamide is a drug-like molecule.
| MolName | 3-benzyl-N-[(Z)-(4-bromophenyl)methylideneamino]-4-oxophthalazine-1-carboxamide |
| MolecularFormula | C23H17N4O2Br |
| Smiles | O=C(C(c1c2cccc1)=NN(Cc1ccccc1)C2=O)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C23H17BrN4O2/c24-18-12-10-16(11-13-18)14-25-26-22(29)21-19-8-4-5-9-20(19)23(30)28(27-21)15-17-6-2-1-3-7-17/h1-14H,15H2,(H,26,29) |
| InChIK | ACMQKXABUNBBJV-UHFFFAOYSA-N |
| TotalMolweight | 461.318 |
| Molweight | 461.318 |
| MonoisotopicMass | 460.053487 |
| CLogP | 4.4073 |
| CLogS | -6.214 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 316.66 |
| Relative PSA | 0.20246 |
| PolarSurfaceArea | 74.13 |
| Druglikeness | 5.6845 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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