N'-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-chlorophenyl)oxamide
Formula:C17H15N4O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-chlorophenyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-chlorophenyl)oxamide |
| MolecularFormula | C17H15N4O4Cl |
| Smiles | NC(COc1cccc(/C=N\NC(C(Nc2cccc(Cl)c2)=O)=O)c1)=O |
| InChI | InChI=1S/C17H15ClN4O4/c18-12-4-2-5-13(8-12)21-16(24)17(25)22-20-9-11-3-1-6-14(7-11)26-10-15(19)23/h1-9H,10H2,(H2,19,23)(H,21,24)(H,22,25) |
| InChIK | RGDVPGUKANXOMH-UHFFFAOYSA-N |
| TotalMolweight | 374.783 |
| Molweight | 374.783 |
| MonoisotopicMass | 374.078183 |
| CLogP | 1.4121 |
| CLogS | -4.13 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 281.65 |
| Relative PSA | 0.35086 |
| PolarSurfaceArea | 122.88 |
| Druglikeness | 3.8988 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - N'-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-chlorophenyl)oxamide | 2 - N'-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-chlorophenyl)oxamide
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