2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
Formula:C20H17N2OBrS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide |
| MolecularFormula | C20H17N2OBrS |
| Smiles | O=C(CSCc1cccc(Br)c1)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C20H17BrN2OS/c21-18-9-3-5-15(11-18)13-25-14-20(24)23-22-12-17-8-4-7-16-6-1-2-10-19(16)17/h1-12H,13-14H2,(H,23,24) |
| InChIK | DRHISMIWNOZELV-UHFFFAOYSA-N |
| TotalMolweight | 413.338 |
| Molweight | 413.338 |
| MonoisotopicMass | 412.024494 |
| CLogP | 5.3108 |
| CLogS | -6.947 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 285.23 |
| Relative PSA | 0.18757 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | 2.8785 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| StereoCon |
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