N-[(Z)-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-3-bromobenzamide
Formula:C19H12N3O2BrS2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-3-bromobenzamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-3-bromobenzamide |
| MolecularFormula | C19H12N3O2BrS2 |
| Smiles | O=C(c1cccc(Br)c1)N/N=C\c(o1)ccc1Sc1nc(cccc2)c2s1 |
| InChI | InChI=1S/C19H12BrN3O2S2/c20-13-5-3-4-12(10-13)18(24)23-21-11-14-8-9-17(25-14)27-19-22-15-6-1-2-7-16(15)26-19/h1-11H,(H,23,24) |
| InChIK | ATFNWJZWIZMIPP-UHFFFAOYSA-N |
| TotalMolweight | 458.359 |
| Molweight | 458.359 |
| MonoisotopicMass | 456.955428 |
| CLogP | 5.5359 |
| CLogS | -6.622 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 301.86 |
| Relative PSA | 0.32777 |
| PolarSurfaceArea | 121.03 |
| Druglikeness | 4.8953 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-3-bromobenzamide | 2 - N-[(Z)-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-3-bromobenzamide
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