2-morpholin-4-yl-N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
Formula:C20H22N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-morpholin-4-yl-N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-morpholin-4-yl-N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide |
| MolecularFormula | C20H22N4O5 |
| Smiles | [O-][N+](c1ccc(COc2c(/C=N\NC(CN3CCOCC3)=O)cccc2)cc1)=O |
| InChI | InChI=1S/C20H22N4O5/c25-20(14-23-9-11-28-12-10-23)22-21-13-17-3-1-2-4-19(17)29-15-16-5-7-18(8-6-16)24(26)27/h1-8,13H,9-12,14-15H2,(H,22,25) |
| InChIK | TXEAMESONVGKRI-UHFFFAOYSA-N |
| TotalMolweight | 398.418 |
| Molweight | 398.418 |
| MonoisotopicMass | 398.159021 |
| CLogP | 0.5203 |
| CLogS | -3.542 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 310.02 |
| Relative PSA | 0.29024 |
| PolarSurfaceArea | 108.98 |
| Druglikeness | 0.34834 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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