2-(3-bromophenoxy)-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide
Formula:C19H20N3O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3-bromophenoxy)-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(3-bromophenoxy)-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide |
| MolecularFormula | C19H20N3O3Br |
| Smiles | O=C(COc1cccc(Br)c1)N/N=C\c(cc1)ccc1N1CCOCC1 |
| InChI | InChI=1S/C19H20BrN3O3/c20-16-2-1-3-18(12-16)26-14-19(24)22-21-13-15-4-6-17(7-5-15)23-8-10-25-11-9-23/h1-7,12-13H,8-11,14H2,(H,22,24) |
| InChIK | RBLPYPHINCDBGL-UHFFFAOYSA-N |
| TotalMolweight | 418.29 |
| Molweight | 418.29 |
| MonoisotopicMass | 417.068803 |
| CLogP | 3.1707 |
| CLogS | -4.438 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 291.22 |
| Relative PSA | 0.20452 |
| PolarSurfaceArea | 63.16 |
| Druglikeness | 3.4717 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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