2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide
Formula:C16H12N3OBrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide |
| MolecularFormula | C16H12N3OBrS2 |
| Smiles | O=C(CSc1nc(cccc2)c2s1)N/N=C\c(cccc1)c1Br |
| InChI | InChI=1S/C16H12BrN3OS2/c17-12-6-2-1-5-11(12)9-18-20-15(21)10-22-16-19-13-7-3-4-8-14(13)23-16/h1-9H,10H2,(H,20,21) |
| InChIK | DDZZPYNNGGECLU-UHFFFAOYSA-N |
| TotalMolweight | 406.327 |
| Molweight | 406.327 |
| MonoisotopicMass | 404.960513 |
| CLogP | 4.6415 |
| CLogS | -5.933 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 266.17 |
| Relative PSA | 0.31871 |
| PolarSurfaceArea | 107.89 |
| Druglikeness | 3.0028 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide | 2 - 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide
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