2-[(Z)-(3,4-dichlorophenyl)methylideneamino]oxy-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
Formula:C20H21N3O4Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(3,4-dichlorophenyl)methylideneamino]oxy-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is a drug-like molecule.
| MolName | 2-[(Z)-(3,4-dichlorophenyl)methylideneamino]oxy-N-(4-piperidin-1-ylsulfonylphenyl)acetamide |
| MolecularFormula | C20H21N3O4Cl2S |
| Smiles | O=C(CO/N=C\c(cc1)cc(Cl)c1Cl)Nc(cc1)ccc1S(N1CCCCC1)(=O)=O |
| InChI | InChI=1S/C20H21Cl2N3O4S/c21-18-9-4-15(12-19(18)22)13-23-29-14-20(26)24-16-5-7-17(8-6-16)30(27,28)25-10-2-1-3-11-25/h4-9,12-13H,1-3,10-11,14H2,(H,24,26) |
| InChIK | PYKJBOQVCLCBCJ-UHFFFAOYSA-N |
| TotalMolweight | 470.376 |
| Molweight | 470.376 |
| MonoisotopicMass | 469.062981 |
| CLogP | 4.6288 |
| CLogS | -5.16 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 335.77 |
| Relative PSA | 0.23272 |
| PolarSurfaceArea | 96.45 |
| Druglikeness | 4.2246 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon |
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1 - 2-[(Z)-(3,4-dichlorophenyl)methylideneamino]oxy-N-(4-piperidin-1-ylsulfonylphenyl)acetamide | 2 - 2-[(Z)-(3,4-dichlorophenyl)methylideneamino]oxy-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
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