N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-ethylphenyl)quinoline-4-carboxamide
Chemical Structure Depiction of
N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-ethylphenyl)quinoline-4-carboxamide
N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-ethylphenyl)quinoline-4-carboxamide
Compound characteristics
| Compound ID: | 3365-1639 |
| Compound Name: | N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-ethylphenyl)quinoline-4-carboxamide |
| Molecular Weight: | 507.7 |
| Molecular Formula: | C32 H33 N3 O S |
| Smiles: | CCc1ccc(cc1)c1cc(C(Nc2c(C#N)c3CCC(Cc3s2)C(C)(C)CC)=O)c2ccccc2n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.6081 |
| logD: | 7.6529 |
| logSw: | -5.939 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.16 |
| InChI Key: | OQTJXTDLERCXBH-JOCHJYFZSA-N |