N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-nitrophenoxy)acetamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-nitrophenoxy)acetamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-nitrophenoxy)acetamide
Compound characteristics
| Compound ID: | 4300-0494 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-nitrophenoxy)acetamide |
| Molecular Weight: | 357.39 |
| Molecular Formula: | C17 H15 N3 O4 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(COc1ccccc1[N+]([O-])=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.3914 |
| logD: | 2.2127 |
| logSw: | -4.1286 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.554 |
| InChI Key: | VOTXGPDHJJICAZ-UHFFFAOYSA-N |