N-benzyl-N'-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]butanediamide
Formula:C25H24N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-N'-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]butanediamide is a drug-like molecule.
| MolName | N-benzyl-N'-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]butanediamide |
| MolecularFormula | C25H24N3O3Cl |
| Smiles | O=C(CCC(N/N=C\c(cccc1)c1OCc(cccc1)c1Cl)=O)NCc1ccccc1 |
| InChI | InChI=1S/C25H24ClN3O3/c26-22-12-6-4-11-21(22)18-32-23-13-7-5-10-20(23)17-28-29-25(31)15-14-24(30)27-16-19-8-2-1-3-9-19/h1-13,17H,14-16,18H2,(H,27,30)(H,29,31) |
| InChIK | UMOPVTGHPHYNFP-UHFFFAOYSA-N |
| TotalMolweight | 449.937 |
| Molweight | 449.937 |
| MonoisotopicMass | 449.150619 |
| CLogP | 4.7162 |
| CLogS | -5.958 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 356.42 |
| Relative PSA | 0.19783 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 3.7582 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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