4-(morpholin-4-ium-4-ylmethyl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
Formula:C25H26N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(morpholin-4-ium-4-ylmethyl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-(morpholin-4-ium-4-ylmethyl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide |
| MolecularFormula | C25H26N3O3 |
| Smiles | O=C(c1ccc(C[NH+]2CCOCC2)cc1)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C25H25N3O3/c29-25(22-11-9-20(10-12-22)19-28-13-15-30-16-14-28)27-26-18-21-5-4-8-24(17-21)31-23-6-2-1-3-7-23/h1-12,17-18H,13-16,19H2,(H,27,29)/p+1 |
| InChIK | WYMIWFZWPICLDV-UHFFFAOYSA-O |
| TotalMolweight | 416.499 |
| Molweight | 416.499 |
| MonoisotopicMass | 416.197417 |
| CLogP | 2.0794 |
| CLogS | -5.599 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 346.39 |
| Relative PSA | 0.21248 |
| PolarSurfaceArea | 64.36 |
| Druglikeness | 2.0943 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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