N-[(Z)-[3-bromo-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
Formula:C28H22N3O5Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-bromo-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-bromo-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide |
| MolecularFormula | C28H22N3O5Br |
| Smiles | [O-][N+](c1cccc(COc(ccc(/C=N\NC(C(c2ccccc2)(c2ccccc2)O)=O)c2)c2Br)c1)=O |
| InChI | InChI=1S/C28H22BrN3O5/c29-25-17-20(14-15-26(25)37-19-21-8-7-13-24(16-21)32(35)36)18-30-31-27(33)28(34,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-18,34H,19H2,(H,31,33) |
| InChIK | HHSNLDLHYJOKEW-UHFFFAOYSA-N |
| TotalMolweight | 560.403 |
| Molweight | 560.403 |
| MonoisotopicMass | 559.074283 |
| CLogP | 4.6336 |
| CLogS | -7.062 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 389.33 |
| Relative PSA | 0.22996 |
| PolarSurfaceArea | 116.74 |
| Druglikeness | -1.7333 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54054 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 8 |
| AcidicOxygens | 1 |
| StereoCon |
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