4-(quinolin-8-yloxymethyl)-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide
Formula:C22H17N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(quinolin-8-yloxymethyl)-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 4-(quinolin-8-yloxymethyl)-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide |
| MolecularFormula | C22H17N3O2S |
| Smiles | O=C(c1ccc(COc2cccc3cccnc23)cc1)N/N=C\c1cscc1 |
| InChI | InChI=1S/C22H17N3O2S/c26-22(25-24-13-17-10-12-28-15-17)19-8-6-16(7-9-19)14-27-20-5-1-3-18-4-2-11-23-21(18)20/h1-13,15H,14H2,(H,25,26) |
| InChIK | FGXBGIDUQSXZPY-UHFFFAOYSA-N |
| TotalMolweight | 387.462 |
| Molweight | 387.462 |
| MonoisotopicMass | 387.104147 |
| CLogP | 4.6501 |
| CLogS | -5.668 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 299.81 |
| Relative PSA | 0.25796 |
| PolarSurfaceArea | 91.82 |
| Druglikeness | 4.6018 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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