[4-bromo-2-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Formula:C29H21N3O5BrClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C29H21N3O5BrClS |
| Smiles | O=C(/C=C/c1ccccc1)Oc(cc1)c(/C=N\NC(c(cccc2)c2NS(c(cc2)ccc2Cl)(=O)=O)=O)cc1Br |
| InChI | InChI=1S/C29H21BrClN3O5S/c30-22-11-16-27(39-28(35)17-10-20-6-2-1-3-7-20)21(18-22)19-32-33-29(36)25-8-4-5-9-26(25)34-40(37,38)24-14-12-23(31)13-15-24/h1-19,34H,(H,33,36) |
| InChIK | NQKKRWKBPFMEDU-UHFFFAOYSA-N |
| TotalMolweight | 638.925 |
| Molweight | 638.925 |
| MonoisotopicMass | 637.00738 |
| CLogP | 6.5916 |
| CLogS | -8.464 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 434.85 |
| Relative PSA | 0.22787 |
| PolarSurfaceArea | 122.31 |
| Druglikeness | 2.1129 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.575 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - [4-bromo-2-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate | 2 - [4-bromo-2-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
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