2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]acetamide
Formula:C17H13N3O2F2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]acetamide |
| MolecularFormula | C17H13N3O2F2S2 |
| Smiles | O=C(CSc1nc(cccc2)c2s1)N/N=C\c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C17H13F2N3O2S2/c18-16(19)24-12-7-5-11(6-8-12)9-20-22-15(23)10-25-17-21-13-3-1-2-4-14(13)26-17/h1-9,16H,10H2,(H,22,23) |
| InChIK | LYWCXKYWOLJJRA-UHFFFAOYSA-N |
| TotalMolweight | 393.437 |
| Molweight | 393.437 |
| MonoisotopicMass | 393.041723 |
| CLogP | 4.0857 |
| CLogS | -5.721 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 282.74 |
| Relative PSA | 0.3354 |
| PolarSurfaceArea | 117.12 |
| Druglikeness | 1.8935 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]acetamide | 2 - 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]acetamide
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