2-(4-bromophenyl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1,3-dihydroisoindole-5-carboxamide
Formula:C22H16N3OBrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-bromophenyl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1,3-dihydroisoindole-5-carboxamide is not a drug-like molecule.
| MolName | 2-(4-bromophenyl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1,3-dihydroisoindole-5-carboxamide |
| MolecularFormula | C22H16N3OBrCl2 |
| Smiles | O=C(c1cc(CN(C2)c(cc3)ccc3Br)c2cc1)N/N=C/c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C22H16BrCl2N3O/c23-18-4-7-20(8-5-18)28-12-16-2-1-14(9-17(16)13-28)22(29)27-26-11-15-3-6-19(24)10-21(15)25/h1-11H,12-13H2,(H,27,29) |
| InChIK | TXISVFDJCQSZEZ-UHFFFAOYSA-N |
| TotalMolweight | 489.199 |
| Molweight | 489.199 |
| MonoisotopicMass | 486.985377 |
| CLogP | 5.6272 |
| CLogS | -7.623 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 320.54 |
| Relative PSA | 0.12342 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | 4.4372 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-(4-bromophenyl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1,3-dihydroisoindole-5-carboxamide | 2 - 2-(4-bromophenyl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1,3-dihydroisoindole-5-carboxamide
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