| MolName | N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[[2-(2-chlorophenoxy)acetyl]amino]acetamide |
| MolecularFormula | C19H19N4O5Cl |
| Smiles | NC(COc1ccc(/C=N\NC(CNC(COc(cccc2)c2Cl)=O)=O)cc1)=O |
| InChI | InChI=1S/C19H19ClN4O5/c20-15-3-1-2-4-16(15)29-12-19(27)22-10-18(26)24-23-9-13-5-7-14(8-6-13)28-11-17(21)25/h1-9H,10-12H2,(H2,21,25)(H,22,27)(H,24,26) |
| InChIK | RZWJCSHDULUCRU-UHFFFAOYSA-N |
| TotalMolweight | 418.836 |
| Molweight | 418.836 |
| MonoisotopicMass | 418.104398 |
| CLogP | 1.1284 |
| CLogS | -3.873 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 319.17 |
| Relative PSA | 0.34095 |
| PolarSurfaceArea | 132.11 |
| Druglikeness | 5.5798 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72414 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 10 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[[2-(2-chlorophenoxy)acetyl]amino]acetamide | 2 - N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[[2-(2-chlorophenoxy)acetyl]amino]acetamide