N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide
Formula:C24H22N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide |
| MolecularFormula | C24H22N4O5 |
| Smiles | NC(COc1ccc(/C=N\NC(C(Nc(cc2)ccc2OCc2ccccc2)=O)=O)cc1)=O |
| InChI | InChI=1S/C24H22N4O5/c25-22(29)16-33-20-10-6-17(7-11-20)14-26-28-24(31)23(30)27-19-8-12-21(13-9-19)32-15-18-4-2-1-3-5-18/h1-14H,15-16H2,(H2,25,29)(H,27,30)(H,28,31) |
| InChIK | XVJIBTPKXNGEBK-UHFFFAOYSA-N |
| TotalMolweight | 446.462 |
| Molweight | 446.462 |
| MonoisotopicMass | 446.159021 |
| CLogP | 2.1542 |
| CLogS | -4.735 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 349.75 |
| Relative PSA | 0.31114 |
| PolarSurfaceArea | 132.11 |
| Druglikeness | 3.8618 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide | 2 - N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off