N-[(Z)-(2-bromophenyl)methylideneamino]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
Formula:C24H22N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-bromophenyl)methylideneamino]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-bromophenyl)methylideneamino]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide |
| MolecularFormula | C24H22N3OBr |
| Smiles | O=C(c1ccc(CN(CC2)Cc3c2cccc3)cc1)N/N=C\c(cccc1)c1Br |
| InChI | InChI=1S/C24H22BrN3O/c25-23-8-4-3-6-21(23)15-26-27-24(29)20-11-9-18(10-12-20)16-28-14-13-19-5-1-2-7-22(19)17-28/h1-12,15H,13-14,16-17H2,(H,27,29) |
| InChIK | VYYVQTKSAKBGLA-UHFFFAOYSA-N |
| TotalMolweight | 448.363 |
| Molweight | 448.363 |
| MonoisotopicMass | 447.094623 |
| CLogP | 5.0636 |
| CLogS | -5.741 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 317.22 |
| Relative PSA | 0.12471 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | 4.5399 |
| 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 | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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