[4-[(Z)-[[2-[2-[(4-bromophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Formula:C31H23N4O5Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[4-[(Z)-[[2-[2-[(4-bromophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-[2-[(4-bromophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C31H23N4O5Br |
| Smiles | O=C(/C=C/c1ccccc1)Oc1ccc(/C=N\NC(C(Nc(cccc2)c2C(Nc(cc2)ccc2Br)=O)=O)=O)cc1 |
| InChI | InChI=1S/C31H23BrN4O5/c32-23-13-15-24(16-14-23)34-29(38)26-8-4-5-9-27(26)35-30(39)31(40)36-33-20-22-10-17-25(18-11-22)41-28(37)19-12-21-6-2-1-3-7-21/h1-20H,(H,34,38)(H,35,39)(H,36,40) |
| InChIK | UFPFOWIMKIPZOS-UHFFFAOYSA-N |
| TotalMolweight | 611.451 |
| Molweight | 611.451 |
| MonoisotopicMass | 610.085182 |
| CLogP | 5.7763 |
| CLogS | -7.711 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 437.81 |
| Relative PSA | 0.2468 |
| PolarSurfaceArea | 125.96 |
| Druglikeness | -0.56147 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.65854 |
| Fragments | 1 |
| Non HAtoms | 41 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[[2-[2-[(4-bromophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate | 2 - [4-[(Z)-[[2-[2-[(4-bromophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
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