N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]nonanediamide
Formula:C37H40N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]nonanediamide is not a drug-like molecule.
| MolName | N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]nonanediamide |
| MolecularFormula | C37H40N4O4 |
| Smiles | O=C(CCCCCCCC(N/N=C\c(cccc1)c1OCc1ccccc1)=O)N/N=C\c(cccc1)c1OCc1ccccc1 |
| InChI | InChI=1S/C37H40N4O4/c42-36(40-38-26-32-20-12-14-22-34(32)44-28-30-16-6-4-7-17-30)24-10-2-1-3-11-25-37(43)41-39-27-33-21-13-15-23-35(33)45-29-31-18-8-5-9-19-31/h4-9,12-23,26-27H,1-3,10-11,24-25,28-29H2,(H,40,42)(H,41,43) |
| InChIK | YUJFFHOFPJXTQB-UHFFFAOYSA-N |
| TotalMolweight | 604.749 |
| Molweight | 604.749 |
| MonoisotopicMass | 604.304956 |
| CLogP | 8.4154 |
| CLogS | -8.69 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 504.32 |
| Relative PSA | 0.18246 |
| PolarSurfaceArea | 101.38 |
| Druglikeness | -4.4604 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68889 |
| Fragments | 1 |
| Non HAtoms | 45 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 18 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 11 |
| Symmetricatoms | 24 |
| StereoCon |
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1 - N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]nonanediamide | 2 - N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]nonanediamide
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