N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{5-[4-(methylsulfanyl)phenyl]-2H-tetrazol-2-yl}acetamide
Chemical Structure Depiction of
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{5-[4-(methylsulfanyl)phenyl]-2H-tetrazol-2-yl}acetamide
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{5-[4-(methylsulfanyl)phenyl]-2H-tetrazol-2-yl}acetamide
Compound characteristics
| Compound ID: | 8016-8897 |
| Compound Name: | N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{5-[4-(methylsulfanyl)phenyl]-2H-tetrazol-2-yl}acetamide |
| Molecular Weight: | 466.63 |
| Molecular Formula: | C23 H26 N6 O S2 |
| Smiles: | CC(C)(C)C1CCc2c(C#N)c(NC(Cn3nc(c4ccc(cc4)SC)nn3)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7049 |
| logD: | 4.8938 |
| logSw: | -5.5014 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.262 |
| InChI Key: | IUKHAKGPHNDOHH-OAHLLOKOSA-N |