N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(Z)-thiophen-2-ylmethylideneamino]oxyacetamide
Formula:C17H17N3O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(Z)-thiophen-2-ylmethylideneamino]oxyacetamide is a drug-like molecule.
| MolName | N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(Z)-thiophen-2-ylmethylideneamino]oxyacetamide |
| MolecularFormula | C17H17N3O2S2 |
| Smiles | N#Cc1c(NC(CO/N=C\c2cccs2)=O)sc2c1CCCCC2 |
| InChI | InChI=1S/C17H17N3O2S2/c18-9-14-13-6-2-1-3-7-15(13)24-17(14)20-16(21)11-22-19-10-12-5-4-8-23-12/h4-5,8,10H,1-3,6-7,11H2,(H,20,21) |
| InChIK | WKQGEGPBIUHYSX-UHFFFAOYSA-N |
| TotalMolweight | 359.473 |
| Molweight | 359.473 |
| MonoisotopicMass | 359.076217 |
| CLogP | 4.4672 |
| CLogS | -5.898 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 279.64 |
| Relative PSA | 0.35864 |
| PolarSurfaceArea | 130.96 |
| Druglikeness | -4.6115 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 7 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(Z)-thiophen-2-ylmethylideneamino]oxyacetamide | 2 - N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(Z)-thiophen-2-ylmethylideneamino]oxyacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off