2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide
Formula:C18H17N2O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide |
| MolecularFormula | C18H17N2O3ClS |
| Smiles | O=C(CSCc1cccc(Cl)c1)N/N=C\c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C18H17ClN2O3S/c19-15-3-1-2-14(8-15)11-25-12-18(22)21-20-10-13-4-5-16-17(9-13)24-7-6-23-16/h1-5,8-10H,6-7,11-12H2,(H,21,22) |
| InChIK | HMTDJBDKOLFMSH-UHFFFAOYSA-N |
| TotalMolweight | 376.863 |
| Molweight | 376.863 |
| MonoisotopicMass | 376.06484 |
| CLogP | 3.976 |
| CLogS | -5.425 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 281.44 |
| Relative PSA | 0.26116 |
| PolarSurfaceArea | 85.22 |
| Druglikeness | -2.4868 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| StereoCon |
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1 - 2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide | 2 - 2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide
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