N-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
Formula:C24H20N3O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide |
| MolecularFormula | C24H20N3O3Br |
| Smiles | Oc1ccc(CC(C(N/N=C\c(cc2)ccc2Br)=O)N(Cc2c3cccc2)C3=O)cc1 |
| InChI | InChI=1S/C24H20BrN3O3/c25-19-9-5-17(6-10-19)14-26-27-23(30)22(13-16-7-11-20(29)12-8-16)28-15-18-3-1-2-4-21(18)24(28)31/h1-12,14,22,29H,13,15H2,(H,27,30)/t22-/m0/s1 |
| InChIK | VNJCUTGLDCYNKJ-QFIPXVFZSA-N |
| TotalMolweight | 478.345 |
| Molweight | 478.345 |
| MonoisotopicMass | 477.068803 |
| CLogP | 4.1908 |
| CLogS | -5.414 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 326.3 |
| Relative PSA | 0.20135 |
| PolarSurfaceArea | 82 |
| Druglikeness | 6.073 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
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1 - N-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide | 2 - N-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
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