N-cyclopentyl-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
Formula:C21H23N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-cyclopentyl-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N-cyclopentyl-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]oxamide |
| MolecularFormula | C21H23N3O3 |
| Smiles | O=C(C(N/N=C\c1cc(OCc2ccccc2)ccc1)=O)NC1CCCC1 |
| InChI | InChI=1S/C21H23N3O3/c25-20(23-18-10-4-5-11-18)21(26)24-22-14-17-9-6-12-19(13-17)27-15-16-7-2-1-3-8-16/h1-3,6-9,12-14,18H,4-5,10-11,15H2,(H,23,25)(H,24,26) |
| InChIK | OFBIDBXHWNUHFF-UHFFFAOYSA-N |
| TotalMolweight | 365.432 |
| Molweight | 365.432 |
| MonoisotopicMass | 365.173942 |
| CLogP | 2.997 |
| CLogS | -4.663 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 294 |
| Relative PSA | 0.23983 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 1.5236 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-cyclopentyl-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]oxamide | 2 - N-cyclopentyl-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
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