N'-[(Z)-naphthalen-1-ylmethylideneamino]-N-(2-phenylethyl)oxamide
Formula:C21H19N3O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-naphthalen-1-ylmethylideneamino]-N-(2-phenylethyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-naphthalen-1-ylmethylideneamino]-N-(2-phenylethyl)oxamide |
| MolecularFormula | C21H19N3O2 |
| Smiles | O=C(C(N/N=C\c1cccc2ccccc12)=O)NCCc1ccccc1 |
| InChI | InChI=1S/C21H19N3O2/c25-20(22-14-13-16-7-2-1-3-8-16)21(26)24-23-15-18-11-6-10-17-9-4-5-12-19(17)18/h1-12,15H,13-14H2,(H,22,25)(H,24,26) |
| InChIK | KWWNQLKKBXNRRE-UHFFFAOYSA-N |
| TotalMolweight | 345.401 |
| Molweight | 345.401 |
| MonoisotopicMass | 345.147727 |
| CLogP | 3.4778 |
| CLogS | -5.059 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 278.32 |
| Relative PSA | 0.21741 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 4.0487 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-naphthalen-1-ylmethylideneamino]-N-(2-phenylethyl)oxamide | 2 - N'-[(Z)-naphthalen-1-ylmethylideneamino]-N-(2-phenylethyl)oxamide
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