N-[(Z)-[3-bromo-5-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide
Formula:C20H20N3O3BrClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-bromo-5-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[3-bromo-5-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide |
| MolecularFormula | C20H20N3O3BrClF |
| Smiles | O=C(CN1CCOCC1)N/N=C\c(cc1Cl)cc(Br)c1OCc(cccc1)c1F |
| InChI | InChI=1S/C20H20BrClFN3O3/c21-16-9-14(11-24-25-19(27)12-26-5-7-28-8-6-26)10-17(22)20(16)29-13-15-3-1-2-4-18(15)23/h1-4,9-11H,5-8,12-13H2,(H,25,27) |
| InChIK | PVMPJFQBMBSPFK-UHFFFAOYSA-N |
| TotalMolweight | 484.752 |
| Molweight | 484.752 |
| MonoisotopicMass | 483.036058 |
| CLogP | 3.8004 |
| CLogS | -4.966 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 326.75 |
| Relative PSA | 0.18228 |
| PolarSurfaceArea | 63.16 |
| Druglikeness | 2.3264 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[3-bromo-5-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide | 2 - N-[(Z)-[3-bromo-5-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide
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