2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]acetamide
Formula:C22H19N2OBrS
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]acetamide |
| MolecularFormula | C22H19N2OBrS |
| Smiles | O=C(CSCc(cccc1)c1Br)N/N=C\c1ccc(CC2)c3c2cccc13 |
| InChI | InChI=1S/C22H19BrN2OS/c23-20-7-2-1-4-18(20)13-27-14-21(26)25-24-12-17-11-10-16-9-8-15-5-3-6-19(17)22(15)16/h1-7,10-12H,8-9,13-14H2,(H,25,26) |
| InChIK | AXYZAXMKTMRISO-UHFFFAOYSA-N |
| TotalMolweight | 439.376 |
| Molweight | 439.376 |
| MonoisotopicMass | 438.040144 |
| CLogP | 5.7836 |
| CLogS | -7.499 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 299.25 |
| Relative PSA | 0.17878 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | 1.7223 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| StereoCon |
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1 - 2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]acetamide | 2 - 2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]acetamide
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