N-cyclohexyl-N'-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]propanediamide
Formula:C23H27N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-cyclohexyl-N'-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]propanediamide is a drug-like molecule.
| MolName | N-cyclohexyl-N'-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]propanediamide |
| MolecularFormula | C23H27N3O3 |
| Smiles | O=C(CC(N/N=C\c(cccc1)c1OCc1ccccc1)=O)NC1CCCCC1 |
| InChI | InChI=1S/C23H27N3O3/c27-22(25-20-12-5-2-6-13-20)15-23(28)26-24-16-19-11-7-8-14-21(19)29-17-18-9-3-1-4-10-18/h1,3-4,7-11,14,16,20H,2,5-6,12-13,15,17H2,(H,25,27)(H,26,28) |
| InChIK | AEMRSVAAUNJYEL-UHFFFAOYSA-N |
| TotalMolweight | 393.485 |
| Molweight | 393.485 |
| MonoisotopicMass | 393.205242 |
| CLogP | 3.7934 |
| CLogS | -5.203 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 321.52 |
| Relative PSA | 0.2193 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | -2.4821 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-cyclohexyl-N'-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]propanediamide | 2 - N-cyclohexyl-N'-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]propanediamide
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