[4-[(Z)-[[2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetyl]hydrazinylidene]methyl]phenyl] benzoate
Formula:C28H21N3O5Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C28H21N3O5Cl2S |
| Smiles | O=C(CN(c(cc1)cc(Cl)c1Cl)S(c1ccccc1)(=O)=O)N/N=C\c(cc1)ccc1OC(c1ccccc1)=O |
| InChI | InChI=1S/C28H21Cl2N3O5S/c29-25-16-13-22(17-26(25)30)33(39(36,37)24-9-5-2-6-10-24)19-27(34)32-31-18-20-11-14-23(15-12-20)38-28(35)21-7-3-1-4-8-21/h1-18H,19H2,(H,32,34) |
| InChIK | BVJATMRFZZBDQN-UHFFFAOYSA-N |
| TotalMolweight | 582.463 |
| Molweight | 582.463 |
| MonoisotopicMass | 581.057896 |
| CLogP | 5.6933 |
| CLogS | -7.868 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 417.74 |
| Relative PSA | 0.21827 |
| PolarSurfaceArea | 113.52 |
| Druglikeness | -1.1188 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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1 - [4-[(Z)-[[2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetyl]hydrazinylidene]methyl]phenyl] benzoate | 2 - [4-[(Z)-[[2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetyl]hydrazinylidene]methyl]phenyl] benzoate
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