[4-[(Z)-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
Formula:C27H19N3O5BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate |
| MolecularFormula | C27H19N3O5BrClS |
| Smiles | O=C(c(cc1)ccc1NS(c(cc1)ccc1Cl)(=O)=O)N/N=C\c(cc1)ccc1OC(c(cccc1)c1Br)=O |
| InChI | InChI=1S/C27H19BrClN3O5S/c28-25-4-2-1-3-24(25)27(34)37-22-13-5-18(6-14-22)17-30-31-26(33)19-7-11-21(12-8-19)32-38(35,36)23-15-9-20(29)10-16-23/h1-17,32H,(H,31,33) |
| InChIK | CZHGNYWDUBYAGC-UHFFFAOYSA-N |
| TotalMolweight | 612.887 |
| Molweight | 612.887 |
| MonoisotopicMass | 610.99173 |
| CLogP | 6.2624 |
| CLogS | -8.094 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 408.35 |
| Relative PSA | 0.24266 |
| PolarSurfaceArea | 122.31 |
| Druglikeness | 3.6372 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65789 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate | 2 - [4-[(Z)-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
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