N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,5-dimethylphenoxy)acetamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,5-dimethylphenoxy)acetamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,5-dimethylphenoxy)acetamide
Compound characteristics
| Compound ID: | 4300-0493 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,5-dimethylphenoxy)acetamide |
| Molecular Weight: | 340.44 |
| Molecular Formula: | C19 H20 N2 O2 S |
| Smiles: | Cc1cc(C)cc(c1)OCC(Nc1c(C#N)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5677 |
| logD: | 3.389 |
| logSw: | -4.4878 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.387 |
| InChI Key: | LGMCKKQCTVDWNI-UHFFFAOYSA-N |