N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide
Formula:C20H22N3O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide |
| MolecularFormula | C20H22N3O3Br |
| Smiles | O=C(CN1CCOCC1)N/N=C\c(cccc1)c1OCc(cc1)ccc1Br |
| InChI | InChI=1S/C20H22BrN3O3/c21-18-7-5-16(6-8-18)15-27-19-4-2-1-3-17(19)13-22-23-20(25)14-24-9-11-26-12-10-24/h1-8,13H,9-12,14-15H2,(H,23,25) |
| InChIK | MBGQUZRTAHXERK-UHFFFAOYSA-N |
| TotalMolweight | 432.317 |
| Molweight | 432.317 |
| MonoisotopicMass | 431.084453 |
| CLogP | 3.0936 |
| CLogS | -3.916 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 304.98 |
| Relative PSA | 0.19529 |
| PolarSurfaceArea | 63.16 |
| Druglikeness | 3.6436 |
| 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 | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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