2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
Formula:C20H13N3O2Cl2S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C20H13N3O2Cl2S2 |
| Smiles | O=C(CSc1nc(cccc2)c2s1)N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1 |
| InChI | InChI=1S/C20H13Cl2N3O2S2/c21-14-5-3-4-13(19(14)22)16-9-8-12(27-16)10-23-25-18(26)11-28-20-24-15-6-1-2-7-17(15)29-20/h1-10H,11H2,(H,25,26) |
| InChIK | NDAFBCMDUXYSRF-UHFFFAOYSA-N |
| TotalMolweight | 462.38 |
| Molweight | 462.38 |
| MonoisotopicMass | 460.982621 |
| CLogP | 6.0672 |
| CLogS | -8.031 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 327.83 |
| Relative PSA | 0.3018 |
| PolarSurfaceArea | 121.03 |
| Druglikeness | 6.8557 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide | 2 - 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
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