[3-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
Formula:C24H17N3O5Cl2S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate is not a drug-like molecule.
| MolName | [3-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate |
| MolecularFormula | C24H17N3O5Cl2S2 |
| Smiles | O=C(CNS(c(cc1)ccc1Cl)(=O)=O)N/N=C\c1cc(OC(c(sc2c3cccc2)c3Cl)=O)ccc1 |
| InChI | InChI=1S/C24H17Cl2N3O5S2/c25-16-8-10-18(11-9-16)36(32,33)28-14-21(30)29-27-13-15-4-3-5-17(12-15)34-24(31)23-22(26)19-6-1-2-7-20(19)35-23/h1-13,28H,14H2,(H,29,30) |
| InChIK | KAQXHLIDGVCIHZ-UHFFFAOYSA-N |
| TotalMolweight | 562.453 |
| Molweight | 562.453 |
| MonoisotopicMass | 560.998666 |
| CLogP | 5.5356 |
| CLogS | -7.327 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 389.68 |
| Relative PSA | 0.30653 |
| PolarSurfaceArea | 150.55 |
| Druglikeness | 7.8625 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; 3-halo-enone |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - [3-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate | 2 - [3-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
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