[3-benzoyloxy-4-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
Formula:C36H32N4O7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-benzoyloxy-4-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [3-benzoyloxy-4-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C36H32N4O7 |
| Smiles | O=C(C(N/N=C\c(ccc(OC(c1ccccc1)=O)c1)c1OC(c1ccccc1)=O)=O)Nc(cccc1)c1C(NC1CCCCC1)=O |
| InChI | InChI=1S/C36H32N4O7/c41-32(38-27-16-8-3-9-17-27)29-18-10-11-19-30(29)39-33(42)34(43)40-37-23-26-20-21-28(46-35(44)24-12-4-1-5-13-24)22-31(26)47-36(45)25-14-6-2-7-15-25/h1-2,4-7,10-15,18-23,27H,3,8-9,16-17H2,(H,38,41)(H,39,42)(H,40,43) |
| InChIK | OBNYDROBKFKSAB-UHFFFAOYSA-N |
| TotalMolweight | 632.671 |
| Molweight | 632.671 |
| MonoisotopicMass | 632.227101 |
| CLogP | 5.9994 |
| CLogS | -8.044 |
| H Acceptors | 11 |
| H Donors | 3 |
| TotalSurfaceArea | 488.23 |
| Relative PSA | 0.2685 |
| PolarSurfaceArea | 152.26 |
| Druglikeness | -0.78537 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.51064 |
| Fragments | 1 |
| Non HAtoms | 47 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 12 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - [3-benzoyloxy-4-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate | 2 - [3-benzoyloxy-4-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
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