2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide
Formula:C22H19N3O3BrFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide |
| MolecularFormula | C22H19N3O3BrFS |
| Smiles | O=C(CN(Cc(cc1)ccc1Br)S(c1ccccc1)(=O)=O)N/N=C\c(cccc1)c1F |
| InChI | InChI=1S/C22H19BrFN3O3S/c23-19-12-10-17(11-13-19)15-27(31(29,30)20-7-2-1-3-8-20)16-22(28)26-25-14-18-6-4-5-9-21(18)24/h1-14H,15-16H2,(H,26,28) |
| InChIK | NMJDFJZJOMGUKA-UHFFFAOYSA-N |
| TotalMolweight | 504.379 |
| Molweight | 504.379 |
| MonoisotopicMass | 503.031451 |
| CLogP | 4.3092 |
| CLogS | -5.093 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 338.13 |
| Relative PSA | 0.20152 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | -3.6404 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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-fluorophenyl)methylideneamino]acetamide | 2 - 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide
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