N-cycloheptyl-N'-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
Formula:C23H27N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-cycloheptyl-N'-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N-cycloheptyl-N'-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]oxamide |
| MolecularFormula | C23H27N3O3 |
| Smiles | O=C(C(N/N=C\c(cccc1)c1OCc1ccccc1)=O)NC1CCCCCC1 |
| InChI | InChI=1S/C23H27N3O3/c27-22(25-20-13-6-1-2-7-14-20)23(28)26-24-16-19-12-8-9-15-21(19)29-17-18-10-4-3-5-11-18/h3-5,8-12,15-16,20H,1-2,6-7,13-14,17H2,(H,25,27)(H,26,28) |
| InChIK | MKCGMNZYMOGXJA-UHFFFAOYSA-N |
| TotalMolweight | 393.485 |
| Molweight | 393.485 |
| MonoisotopicMass | 393.205242 |
| CLogP | 3.681 |
| CLogS | -5.203 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 321.52 |
| Relative PSA | 0.2193 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | -0.83331 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - N-cycloheptyl-N'-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]oxamide | 2 - N-cycloheptyl-N'-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
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