[4-bromo-2-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
Formula:C29H27N4O5Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C29H27N4O5Br |
| Smiles | O=C(C(N/N=C\c(cc(cc1)Br)c1OC(c1ccccc1)=O)=O)Nc(cccc1)c1C(NC1CCCCC1)=O |
| InChI | InChI=1S/C29H27BrN4O5/c30-21-15-16-25(39-29(38)19-9-3-1-4-10-19)20(17-21)18-31-34-28(37)27(36)33-24-14-8-7-13-23(24)26(35)32-22-11-5-2-6-12-22/h1,3-4,7-10,13-18,22H,2,5-6,11-12H2,(H,32,35)(H,33,36)(H,34,37) |
| InChIK | APYRAYSFLJYSOX-UHFFFAOYSA-N |
| TotalMolweight | 591.46 |
| Molweight | 591.46 |
| MonoisotopicMass | 590.116482 |
| CLogP | 5.2941 |
| CLogS | -7.408 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 419.35 |
| Relative PSA | 0.25766 |
| PolarSurfaceArea | 125.96 |
| Druglikeness | -2.5754 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.5641 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - [4-bromo-2-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate | 2 - [4-bromo-2-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
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