N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]adamantane-1-carboxamide
Chemical Structure Depiction of
N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]adamantane-1-carboxamide
N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]adamantane-1-carboxamide
Compound characteristics
| Compound ID: | Y500-1106 |
| Compound Name: | N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]adamantane-1-carboxamide |
| Molecular Weight: | 410.62 |
| Molecular Formula: | C25 H34 N2 O S |
| Smiles: | CCC(C)(C)C1CCc2c(C#N)c(NC(C34CC5CC(CC(C5)C4)C3)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8293 |
| logD: | 4.6391 |
| logSw: | -5.671 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.134 |
| InChI Key: | OVVAPQRPOPJFOE-GVMKUJSRSA-N |