N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
Formula:C22H20N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide |
| MolecularFormula | C22H20N4O3 |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1OCc1ccccc1)=O)NCc1ccncc1 |
| InChI | InChI=1S/C22H20N4O3/c27-21(24-14-18-10-12-23-13-11-18)22(28)26-25-15-17-6-8-20(9-7-17)29-16-19-4-2-1-3-5-19/h1-13,15H,14,16H2,(H,24,27)(H,26,28) |
| InChIK | OECNKPDSAHULIW-UHFFFAOYSA-N |
| TotalMolweight | 388.426 |
| Molweight | 388.426 |
| MonoisotopicMass | 388.153541 |
| CLogP | 2.2005 |
| CLogS | -3.887 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 312.24 |
| Relative PSA | 0.26095 |
| PolarSurfaceArea | 92.68 |
| Druglikeness | 3.7225 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.72414 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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