N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide
Formula:C26H22N3O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide |
| MolecularFormula | C26H22N3O2Br |
| Smiles | O=C(CNc1cccc2ccccc12)N/N=C\c(cccc1)c1OCc(cc1)ccc1Br |
| InChI | InChI=1S/C26H22BrN3O2/c27-22-14-12-19(13-15-22)18-32-25-11-4-2-7-21(25)16-29-30-26(31)17-28-24-10-5-8-20-6-1-3-9-23(20)24/h1-16,28H,17-18H2,(H,30,31) |
| InChIK | ZCLJJCDVGJKRCZ-UHFFFAOYSA-N |
| TotalMolweight | 488.384 |
| Molweight | 488.384 |
| MonoisotopicMass | 487.089538 |
| CLogP | 5.7612 |
| CLogS | -7.324 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 348.96 |
| Relative PSA | 0.16469 |
| PolarSurfaceArea | 62.72 |
| Druglikeness | 2.876 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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