N'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
Formula:C22H19N4O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(pyridin-3-ylmethyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(pyridin-3-ylmethyl)oxamide |
| MolecularFormula | C22H19N4O3Cl |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1OCc(cc1)ccc1Cl)=O)NCc1cnccc1 |
| InChI | InChI=1S/C22H19ClN4O3/c23-19-7-3-17(4-8-19)15-30-20-9-5-16(6-10-20)14-26-27-22(29)21(28)25-13-18-2-1-11-24-12-18/h1-12,14H,13,15H2,(H,25,28)(H,27,29) |
| InChIK | RTPHWJHVUIYPNT-UHFFFAOYSA-N |
| TotalMolweight | 422.871 |
| Molweight | 422.871 |
| MonoisotopicMass | 422.114568 |
| CLogP | 2.8065 |
| CLogS | -4.623 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 327.66 |
| Relative PSA | 0.24867 |
| PolarSurfaceArea | 92.68 |
| Druglikeness | 3.7567 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(pyridin-3-ylmethyl)oxamide | 2 - N'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
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