4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]benzamide
Formula:C24H22N3OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]benzamide |
| MolecularFormula | C24H22N3OF |
| Smiles | O=C(c1ccc(CN(CC2)Cc3c2cccc3)cc1)N/N=C\c(cccc1)c1F |
| InChI | InChI=1S/C24H22FN3O/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 | FTPLKBOCVBPRFI-UHFFFAOYSA-N |
| TotalMolweight | 387.457 |
| Molweight | 387.457 |
| MonoisotopicMass | 387.17469 |
| CLogP | 4.4392 |
| CLogS | -5.221 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 304.94 |
| Relative PSA | 0.12973 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | 4.9899 |
| 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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1 - 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]benzamide | 2 - 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]benzamide
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