N-[(Z)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]-2-[(4-chlorophenyl)sulfonylamino]acetamide
Formula:C22H19N3O4BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]-2-[(4-chlorophenyl)sulfonylamino]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]-2-[(4-chlorophenyl)sulfonylamino]acetamide |
| MolecularFormula | C22H19N3O4BrClS |
| Smiles | O=C(CNS(c(cc1)ccc1Cl)(=O)=O)N/N=C\c(cc(cc1)OCc2ccccc2)c1Br |
| InChI | InChI=1S/C22H19BrClN3O4S/c23-21-11-8-19(31-15-16-4-2-1-3-5-16)12-17(21)13-25-27-22(28)14-26-32(29,30)20-9-6-18(24)7-10-20/h1-13,26H,14-15H2,(H,27,28) |
| InChIK | NGTDWBGZLYKOLI-UHFFFAOYSA-N |
| TotalMolweight | 536.833 |
| Molweight | 536.833 |
| MonoisotopicMass | 534.996815 |
| CLogP | 4.6512 |
| CLogS | -5.947 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 358.36 |
| Relative PSA | 0.24012 |
| PolarSurfaceArea | 105.24 |
| Druglikeness | -0.33252 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]-2-[(4-chlorophenyl)sulfonylamino]acetamide | 2 - N-[(Z)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]-2-[(4-chlorophenyl)sulfonylamino]acetamide
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