N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-naphthalen-1-ylsulfanylacetamide
Formula:C20H16N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-naphthalen-1-ylsulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-naphthalen-1-ylsulfanylacetamide |
| MolecularFormula | C20H16N2O3S |
| Smiles | O=C(CSc1cccc2ccccc12)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C20H16N2O3S/c23-20(12-26-19-7-3-5-15-4-1-2-6-16(15)19)22-21-11-14-8-9-17-18(10-14)25-13-24-17/h1-11H,12-13H2,(H,22,23) |
| InChIK | UJMPIQLQNWPNDN-UHFFFAOYSA-N |
| TotalMolweight | 364.424 |
| Molweight | 364.424 |
| MonoisotopicMass | 364.088163 |
| CLogP | 4.7202 |
| CLogS | -6.58 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 273.1 |
| Relative PSA | 0.26913 |
| PolarSurfaceArea | 85.22 |
| Druglikeness | 4.6308 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| StereoCon |
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