N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
Formula:C25H19N2O3Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide |
| MolecularFormula | C25H19N2O3Br |
| Smiles | OC(C(N/N=C\c1ccc(-c(cc2)ccc2Br)o1)=O)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C25H19BrN2O3/c26-21-13-11-18(12-14-21)23-16-15-22(31-23)17-27-28-24(29)25(30,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-17,30H,(H,28,29) |
| InChIK | BTOHGWGUBKHGAK-UHFFFAOYSA-N |
| TotalMolweight | 475.341 |
| Molweight | 475.341 |
| MonoisotopicMass | 474.057904 |
| CLogP | 5.146 |
| CLogS | -6.721 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 331.59 |
| Relative PSA | 0.19066 |
| PolarSurfaceArea | 74.83 |
| Druglikeness | 5.6183 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 10 |
| StereoCon |
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