N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-phenylacetamide
Formula:C21H22N3O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-phenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-phenylacetamide |
| MolecularFormula | C21H22N3O4Br |
| Smiles | O=C(Cc1ccccc1)N/N=C\c(cc1)cc(Br)c1OCC(N1CCOCC1)=O |
| InChI | InChI=1S/C21H22BrN3O4/c22-18-12-17(14-23-24-20(26)13-16-4-2-1-3-5-16)6-7-19(18)29-15-21(27)25-8-10-28-11-9-25/h1-7,12,14H,8-11,13,15H2,(H,24,26) |
| InChIK | XRNJIIVHIWIBNC-UHFFFAOYSA-N |
| TotalMolweight | 460.327 |
| Molweight | 460.327 |
| MonoisotopicMass | 459.079368 |
| CLogP | 3.1741 |
| CLogS | -4.01 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 322.73 |
| Relative PSA | 0.22496 |
| PolarSurfaceArea | 80.23 |
| Druglikeness | 4.228 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-phenylacetamide | 2 - N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-phenylacetamide
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