[4-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
Formula:C29H28N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C29H28N4O5 |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1OC(c1ccccc1)=O)=O)Nc(cccc1)c1C(NC1CCCCC1)=O |
| InChI | InChI=1S/C29H28N4O5/c34-26(31-22-11-5-2-6-12-22)24-13-7-8-14-25(24)32-27(35)28(36)33-30-19-20-15-17-23(18-16-20)38-29(37)21-9-3-1-4-10-21/h1,3-4,7-10,13-19,22H,2,5-6,11-12H2,(H,31,34)(H,32,35)(H,33,36) |
| InChIK | GXGZAHOVVZUYIY-UHFFFAOYSA-N |
| TotalMolweight | 512.564 |
| Molweight | 512.564 |
| MonoisotopicMass | 512.205971 |
| CLogP | 4.5689 |
| CLogS | -6.574 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 400.72 |
| Relative PSA | 0.26964 |
| PolarSurfaceArea | 125.96 |
| 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 | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
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1 - [4-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate | 2 - [4-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
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