N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
Formula:C24H21N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide |
| MolecularFormula | C24H21N3OCl2 |
| Smiles | O=C(c1ccc(CN(CC2)Cc3c2cccc3)cc1)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C24H21Cl2N3O/c25-22-10-9-20(23(26)13-22)14-27-28-24(30)19-7-5-17(6-8-19)15-29-12-11-18-3-1-2-4-21(18)16-29/h1-10,13-14H,11-12,15-16H2,(H,28,30) |
| InChIK | JZMQXHXOJKGTEQ-UHFFFAOYSA-N |
| TotalMolweight | 438.357 |
| Molweight | 438.357 |
| MonoisotopicMass | 437.106166 |
| CLogP | 5.5504 |
| CLogS | -6.379 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 329.43 |
| Relative PSA | 0.12009 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | 6.3347 |
| 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 | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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1 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide | 2 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
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