N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(4-chlorophenyl)acetamide
Formula:C24H21N3O3BrCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(4-chlorophenyl)acetamide is not a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(4-chlorophenyl)acetamide |
| MolecularFormula | C24H21N3O3BrCl |
| Smiles | O=C(Cc(cc1)ccc1Cl)NCC(N/N=C\c(cc(cc1)Br)c1OCc1ccccc1)=O |
| InChI | InChI=1S/C24H21BrClN3O3/c25-20-8-11-22(32-16-18-4-2-1-3-5-18)19(13-20)14-28-29-24(31)15-27-23(30)12-17-6-9-21(26)10-7-17/h1-11,13-14H,12,15-16H2,(H,27,30)(H,29,31) |
| InChIK | MNSPNHXYAAQKJP-UHFFFAOYSA-N |
| TotalMolweight | 514.806 |
| Molweight | 514.806 |
| MonoisotopicMass | 513.04548 |
| CLogP | 4.9627 |
| CLogS | -6.364 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 361.29 |
| Relative PSA | 0.19516 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 3.4061 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(4-chlorophenyl)acetamide | 2 - N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(4-chlorophenyl)acetamide
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