2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
Formula:C22H18N3O3BrCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C22H18N3O3BrCl2S |
| Smiles | O=C(CN(Cc(cc1)ccc1Br)S(c1ccccc1)(=O)=O)N/N=C\c(cccc1Cl)c1Cl |
| InChI | InChI=1S/C22H18BrCl2N3O3S/c23-18-11-9-16(10-12-18)14-28(32(30,31)19-6-2-1-3-7-19)15-21(29)27-26-13-17-5-4-8-20(24)22(17)25/h1-13H,14-15H2,(H,27,29) |
| InChIK | FQTKOLAPINWRSM-UHFFFAOYSA-N |
| TotalMolweight | 555.279 |
| Molweight | 555.279 |
| MonoisotopicMass | 552.962927 |
| CLogP | 5.4204 |
| CLogS | -6.251 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 362.62 |
| Relative PSA | 0.18791 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | -2.0622 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide | 2 - 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
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