N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(Z)-(4-oxochromen-3-yl)methylideneamino]oxamide
Formula:C25H24N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(Z)-(4-oxochromen-3-yl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(Z)-(4-oxochromen-3-yl)methylideneamino]oxamide |
| MolecularFormula | C25H24N4O5 |
| Smiles | O=C(C(N/N=C\C1=COc(cccc2)c2C1=O)=O)Nc(cccc1)c1C(NC1CCCCC1)=O |
| InChI | InChI=1S/C25H24N4O5/c30-22-16(15-34-21-13-7-5-11-19(21)22)14-26-29-25(33)24(32)28-20-12-6-4-10-18(20)23(31)27-17-8-2-1-3-9-17/h4-7,10-15,17H,1-3,8-9H2,(H,27,31)(H,28,32)(H,29,33) |
| InChIK | PZKFWUYVBANQRO-UHFFFAOYSA-N |
| TotalMolweight | 460.489 |
| Molweight | 460.489 |
| MonoisotopicMass | 460.174671 |
| CLogP | 2.2558 |
| CLogS | -5.654 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 352.17 |
| Relative PSA | 0.30681 |
| PolarSurfaceArea | 125.96 |
| Druglikeness | -0.15464 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(Z)-(4-oxochromen-3-yl)methylideneamino]oxamide | 2 - N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(Z)-(4-oxochromen-3-yl)methylideneamino]oxamide
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