N'-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide
Formula:C24H22N3O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide |
| MolecularFormula | C24H22N3O5Cl |
| Smiles | COc(cccc1)c1NC(C(N/N=C\c(cc1)cc(OC)c1OCc(cc1)ccc1Cl)=O)=O |
| InChI | InChI=1S/C24H22ClN3O5/c1-31-20-6-4-3-5-19(20)27-23(29)24(30)28-26-14-17-9-12-21(22(13-17)32-2)33-15-16-7-10-18(25)11-8-16/h3-14H,15H2,1-2H3,(H,27,29)(H,28,30) |
| InChIK | ULKMPGOOCIWGPO-UHFFFAOYSA-N |
| TotalMolweight | 467.908 |
| Molweight | 467.908 |
| MonoisotopicMass | 467.124799 |
| CLogP | 3.958 |
| CLogS | -5.638 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 359.66 |
| Relative PSA | 0.25165 |
| PolarSurfaceArea | 98.25 |
| Druglikeness | 3.43 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide | 2 - N'-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide
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