N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(Z)-thiophen-2-ylmethylideneamino]oxyacetamide
Formula:C16H15N3O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(Z)-thiophen-2-ylmethylideneamino]oxyacetamide is a drug-like molecule.
| MolName | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(Z)-thiophen-2-ylmethylideneamino]oxyacetamide |
| MolecularFormula | C16H15N3O2S2 |
| Smiles | N#Cc1c(NC(CO/N=C\c2cccs2)=O)sc2c1CCCC2 |
| InChI | InChI=1S/C16H15N3O2S2/c17-8-13-12-5-1-2-6-14(12)23-16(13)19-15(20)10-21-18-9-11-4-3-7-22-11/h3-4,7,9H,1-2,5-6,10H2,(H,19,20) |
| InChIK | HDQMRYLFICXSCB-UHFFFAOYSA-N |
| TotalMolweight | 345.446 |
| Molweight | 345.446 |
| MonoisotopicMass | 345.060567 |
| CLogP | 4.1252 |
| CLogS | -5.628 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 265.88 |
| Relative PSA | 0.3772 |
| PolarSurfaceArea | 130.96 |
| Druglikeness | -4.6115 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(Z)-thiophen-2-ylmethylideneamino]oxyacetamide | 2 - N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(Z)-thiophen-2-ylmethylideneamino]oxyacetamide
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