N-[(Z)-[3-bromo-4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide
Formula:C20H21N3O3BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-bromo-4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[3-bromo-4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide |
| MolecularFormula | C20H21N3O3BrF |
| Smiles | O=C(CN1CCOCC1)N/N=C\c(cc1)cc(Br)c1OCc1cc(F)ccc1 |
| InChI | InChI=1S/C20H21BrFN3O3/c21-18-11-15(12-23-24-20(26)13-25-6-8-27-9-7-25)4-5-19(18)28-14-16-2-1-3-17(22)10-16/h1-5,10-12H,6-9,13-14H2,(H,24,26) |
| InChIK | FBPOZDNVRJBYMY-UHFFFAOYSA-N |
| TotalMolweight | 450.307 |
| Molweight | 450.307 |
| MonoisotopicMass | 449.075031 |
| CLogP | 3.1944 |
| CLogS | -4.23 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 311.33 |
| Relative PSA | 0.19131 |
| PolarSurfaceArea | 63.16 |
| Druglikeness | 2.3036 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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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