N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide
Chemical Structure Depiction of
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide
Compound characteristics
| Compound ID: | 3360-9445 |
| Compound Name: | N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide |
| Molecular Weight: | 509.67 |
| Molecular Formula: | C31 H31 N3 O2 S |
| Smiles: | CCOc1cccc(c1)c1cc(C(Nc2c(C#N)c3CCC(Cc3s2)C(C)(C)C)=O)c2ccccc2n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.095 |
| logD: | 7.1398 |
| logSw: | -5.9265 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.284 |
| InChI Key: | BOHFJQDIGBXISU-HXUWFJFHSA-N |