N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
Formula:C23H27N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(pyridin-4-ylmethyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(pyridin-4-ylmethyl)oxamide |
| MolecularFormula | C23H27N5O4 |
| Smiles | O=C(COc1ccc(/C=N\NC(C(NCc2ccncc2)=O)=O)cc1)NC1CCCCC1 |
| InChI | InChI=1S/C23H27N5O4/c29-21(27-19-4-2-1-3-5-19)16-32-20-8-6-17(7-9-20)15-26-28-23(31)22(30)25-14-18-10-12-24-13-11-18/h6-13,15,19H,1-5,14,16H2,(H,25,30)(H,27,29)(H,28,31) |
| InChIK | DCHNEFILDDMDJZ-UHFFFAOYSA-N |
| TotalMolweight | 437.498 |
| Molweight | 437.498 |
| MonoisotopicMass | 437.206305 |
| CLogP | 1.4218 |
| CLogS | -3.905 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 349.49 |
| Relative PSA | 0.30324 |
| PolarSurfaceArea | 121.78 |
| Druglikeness | -0.3434 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.71875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(pyridin-4-ylmethyl)oxamide | 2 - N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
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