2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
Formula:C20H17N3O4Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C20H17N3O4Cl2S |
| Smiles | O=C(CN(Cc1ccco1)S(c1ccccc1)(=O)=O)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C20H17Cl2N3O4S/c21-16-9-8-15(19(22)11-16)12-23-24-20(26)14-25(13-17-5-4-10-29-17)30(27,28)18-6-2-1-3-7-18/h1-12H,13-14H2,(H,24,26) |
| InChIK | DGADJOZKCRXEFW-UHFFFAOYSA-N |
| TotalMolweight | 466.344 |
| Molweight | 466.344 |
| MonoisotopicMass | 465.031681 |
| CLogP | 3.8839 |
| CLogS | -5.099 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 333.68 |
| Relative PSA | 0.24649 |
| PolarSurfaceArea | 100.36 |
| Druglikeness | 0.12106 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide | 2 - 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
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