N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
Formula:C21H15N4O3Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-(4-oxo-3H-phthalazin-1-yl)acetamide |
| MolecularFormula | C21H15N4O3Br |
| Smiles | O=C(CC(c1c2cccc1)=NNC2=O)N/N=C\c1ccc(-c(cc2)ccc2Br)o1 |
| InChI | InChI=1S/C21H15BrN4O3/c22-14-7-5-13(6-8-14)19-10-9-15(29-19)12-23-25-20(27)11-18-16-3-1-2-4-17(16)21(28)26-24-18/h1-10,12H,11H2,(H,25,27)(H,26,28) |
| InChIK | FBVHGABQAJMOIS-UHFFFAOYSA-N |
| TotalMolweight | 451.279 |
| Molweight | 451.279 |
| MonoisotopicMass | 450.032752 |
| CLogP | 4.3648 |
| CLogS | -7.126 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 307.51 |
| Relative PSA | 0.28009 |
| PolarSurfaceArea | 96.06 |
| Druglikeness | 5.0024 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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