N-[(Z)-benzylideneamino]-2-(4-bromophenyl)-1,3-dihydroisoindole-5-carboxamide
Formula:C22H18N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-(4-bromophenyl)-1,3-dihydroisoindole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-(4-bromophenyl)-1,3-dihydroisoindole-5-carboxamide |
| MolecularFormula | C22H18N3OBr |
| Smiles | O=C(c1cc(CN(C2)c(cc3)ccc3Br)c2cc1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C22H18BrN3O/c23-20-8-10-21(11-9-20)26-14-18-7-6-17(12-19(18)15-26)22(27)25-24-13-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,25,27) |
| InChIK | DZPIIUXOBFNNRW-UHFFFAOYSA-N |
| TotalMolweight | 420.309 |
| Molweight | 420.309 |
| MonoisotopicMass | 419.063323 |
| CLogP | 4.4152 |
| CLogS | -6.151 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 289.7 |
| Relative PSA | 0.13656 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | 4.4392 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - N-[(Z)-benzylideneamino]-2-(4-bromophenyl)-1,3-dihydroisoindole-5-carboxamide | 2 - N-[(Z)-benzylideneamino]-2-(4-bromophenyl)-1,3-dihydroisoindole-5-carboxamide
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