2-(1H-indol-3-yl)-N-[(Z)-thieno[3,2-b]thiophen-5-ylmethylideneamino]acetamide
Formula:C17H13N3OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1H-indol-3-yl)-N-[(Z)-thieno[3,2-b]thiophen-5-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(1H-indol-3-yl)-N-[(Z)-thieno[3,2-b]thiophen-5-ylmethylideneamino]acetamide |
| MolecularFormula | C17H13N3OS2 |
| Smiles | O=C(Cc1c[nH]c2c1cccc2)N/N=C\c1cc(scc2)c2s1 |
| InChI | InChI=1S/C17H13N3OS2/c21-17(7-11-9-18-14-4-2-1-3-13(11)14)20-19-10-12-8-16-15(23-12)5-6-22-16/h1-6,8-10,18H,7H2,(H,20,21) |
| InChIK | SBIUBGOHAOAXRO-UHFFFAOYSA-N |
| TotalMolweight | 339.442 |
| Molweight | 339.442 |
| MonoisotopicMass | 339.050002 |
| CLogP | 3.8049 |
| CLogS | -5.193 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 251.4 |
| Relative PSA | 0.36086 |
| PolarSurfaceArea | 113.73 |
| Druglikeness | 5.9567 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-(1H-indol-3-yl)-N-[(Z)-thieno[3,2-b]thiophen-5-ylmethylideneamino]acetamide | 2 - 2-(1H-indol-3-yl)-N-[(Z)-thieno[3,2-b]thiophen-5-ylmethylideneamino]acetamide
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