2-morpholin-4-yl-N-[(Z)-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylideneamino]acetamide
Formula:C20H19N4O5F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-morpholin-4-yl-N-[(Z)-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-morpholin-4-yl-N-[(Z)-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylideneamino]acetamide |
| MolecularFormula | C20H19N4O5F3 |
| Smiles | [O-][N+](c(cc(C(F)(F)F)cc1)c1Oc1ccc(/C=N\NC(CN2CCOCC2)=O)cc1)=O |
| InChI | InChI=1S/C20H19F3N4O5/c21-20(22,23)15-3-6-18(17(11-15)27(29)30)32-16-4-1-14(2-5-16)12-24-25-19(28)13-26-7-9-31-10-8-26/h1-6,11-12H,7-10,13H2,(H,25,28) |
| InChIK | XFKXSALKGYNRPI-UHFFFAOYSA-N |
| TotalMolweight | 452.388 |
| Molweight | 452.388 |
| MonoisotopicMass | 452.130755 |
| CLogP | 1.4161 |
| CLogS | -5.276 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 325.72 |
| Relative PSA | 0.27625 |
| PolarSurfaceArea | 108.98 |
| Druglikeness | -6.8417 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-morpholin-4-yl-N-[(Z)-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylideneamino]acetamide | 2 - 2-morpholin-4-yl-N-[(Z)-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylideneamino]acetamide
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