2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]acetamide
Formula:C23H18N3O2BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]acetamide |
| MolecularFormula | C23H18N3O2BrS2 |
| Smiles | O=C(CSc1nc(cccc2)c2s1)N/N=C\c(cccc1)c1OCc(cc1)ccc1Br |
| InChI | InChI=1S/C23H18BrN3O2S2/c24-18-11-9-16(10-12-18)14-29-20-7-3-1-5-17(20)13-25-27-22(28)15-30-23-26-19-6-2-4-8-21(19)31-23/h1-13H,14-15H2,(H,27,28) |
| InChIK | BPAIZIVAWNVMJT-UHFFFAOYSA-N |
| TotalMolweight | 512.451 |
| Molweight | 512.451 |
| MonoisotopicMass | 511.002378 |
| CLogP | 5.9896 |
| CLogS | -7.274 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 349.69 |
| Relative PSA | 0.27118 |
| PolarSurfaceArea | 117.12 |
| Druglikeness | 2.6551 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]acetamide | 2 - 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]acetamide
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