[3-[(Z)-[(2-oxo-4-phenylpyrrolidine-3-carbonyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate
Formula:C25H20N3O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[(2-oxo-4-phenylpyrrolidine-3-carbonyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate is not a drug-like molecule.
| MolName | [3-[(Z)-[(2-oxo-4-phenylpyrrolidine-3-carbonyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate |
| MolecularFormula | C25H20N3O4Br |
| Smiles | O=C(C(C(CN1)c2ccccc2)C1=O)N/N=C\c1cccc(OC(c2cccc(Br)c2)=O)c1 |
| InChI | InChI=1S/C25H20BrN3O4/c26-19-10-5-9-18(13-19)25(32)33-20-11-4-6-16(12-20)14-28-29-24(31)22-21(15-27-23(22)30)17-7-2-1-3-8-17/h1-14,21-22H,15H2,(H,27,30)(H,29,31) |
| InChIK | WUOYZBKFVWBCHY-UHFFFAOYSA-N |
| TotalMolweight | 506.355 |
| Molweight | 506.355 |
| MonoisotopicMass | 505.063718 |
| CLogP | 4.7863 |
| CLogS | -6.101 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 347.6 |
| Relative PSA | 0.24036 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 4.8238 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 2 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | unknown chirality |
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1 - [3-[(Z)-[(2-oxo-4-phenylpyrrolidine-3-carbonyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate | 2 - [3-[(Z)-[(2-oxo-4-phenylpyrrolidine-3-carbonyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate
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