2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
Formula:C23H18N3O2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide |
| MolecularFormula | C23H18N3O2ClS2 |
| Smiles | O=C(CSc1nc(cccc2)c2s1)N/N=C\c(cc1)ccc1OCc1cccc(Cl)c1 |
| InChI | InChI=1S/C23H18ClN3O2S2/c24-18-5-3-4-17(12-18)14-29-19-10-8-16(9-11-19)13-25-27-22(28)15-30-23-26-20-6-1-2-7-21(20)31-23/h1-13H,14-15H2,(H,27,28) |
| InChIK | YRNKJTINOXSUMP-UHFFFAOYSA-N |
| TotalMolweight | 468 |
| Molweight | 468 |
| MonoisotopicMass | 467.052894 |
| CLogP | 5.8704 |
| CLogS | -7.176 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 346.48 |
| Relative PSA | 0.2737 |
| PolarSurfaceArea | 117.12 |
| Druglikeness | 4.4844 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67742 |
| 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)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide | 2 - 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
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