N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(2-bromophenyl)methylsulfanyl]acetamide
Formula:C17H15N2O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(2-bromophenyl)methylsulfanyl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(2-bromophenyl)methylsulfanyl]acetamide |
| MolecularFormula | C17H15N2O3BrS |
| Smiles | O=C(CSCc(cccc1)c1Br)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C17H15BrN2O3S/c18-14-4-2-1-3-13(14)9-24-10-17(21)20-19-8-12-5-6-15-16(7-12)23-11-22-15/h1-8H,9-11H2,(H,20,21) |
| InChIK | VWZDXBGOUNUKKC-UHFFFAOYSA-N |
| TotalMolweight | 407.287 |
| Molweight | 407.287 |
| MonoisotopicMass | 405.998674 |
| CLogP | 4.2278 |
| CLogS | -6.052 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 270.89 |
| Relative PSA | 0.27133 |
| PolarSurfaceArea | 85.22 |
| Druglikeness | 2.7372 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| StereoCon |
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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(2-bromophenyl)methylsulfanyl]acetamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(2-bromophenyl)methylsulfanyl]acetamide
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