N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-phenyl-2H-tetrazol-2-yl)acetamide
Chemical Structure Depiction of
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-phenyl-2H-tetrazol-2-yl)acetamide
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-phenyl-2H-tetrazol-2-yl)acetamide
Compound characteristics
| Compound ID: | Y508-4595 |
| Compound Name: | N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-phenyl-2H-tetrazol-2-yl)acetamide |
| Molecular Weight: | 378.45 |
| Molecular Formula: | C19 H18 N6 O S |
| Smiles: | CC1CCc2c(C#N)c(NC(Cn3nc(c4ccccc4)nn3)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7572 |
| logD: | 2.9461 |
| logSw: | -4.2192 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.262 |
| InChI Key: | PKDWCPJXYKCFCP-GFCCVEGCSA-N |