[2-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
Formula:C29H20N3O5ClS2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[2-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate is not a drug-like molecule.
| MolName | [2-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate |
| MolecularFormula | C29H20N3O5ClS2 |
| Smiles | O=C(c(sc1c2cccc1)c2Cl)Oc1c(/C=N\NC(c(cc2)ccc2NS(c2ccccc2)(=O)=O)=O)cccc1 |
| InChI | InChI=1S/C29H20ClN3O5S2/c30-26-23-11-5-7-13-25(23)39-27(26)29(35)38-24-12-6-4-8-20(24)18-31-32-28(34)19-14-16-21(17-15-19)33-40(36,37)22-9-2-1-3-10-22/h1-18,33H,(H,32,34) |
| InChIK | LDYMIIRGVCCOOK-UHFFFAOYSA-N |
| TotalMolweight | 590.079 |
| Molweight | 590.079 |
| MonoisotopicMass | 589.053289 |
| CLogP | 6.4584 |
| CLogS | -8.609 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 420.26 |
| Relative PSA | 0.28423 |
| PolarSurfaceArea | 150.55 |
| Druglikeness | 0.8433 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; 3-halo-enone |
| Shape Index | 0.575 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [2-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate | 2 - [2-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
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