N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | D337-2045 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 393.46 |
| Molecular Formula: | C21 H19 N3 O3 S |
| Smiles: | [H]N(C(c1cc(c2ccc(cc2)OCC)on1)=O)c1c(C#N)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.8571 |
| logD: | 3.566 |
| logSw: | -4.6468 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.76 |
| InChI Key: | PDTQUPSCHCJBNB-UHFFFAOYSA-N |