N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{5-[4-(trifluoromethyl)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-[4-(trifluoromethyl)phenyl]-2H-tetrazol-2-yl}acetamide
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{5-[4-(trifluoromethyl)phenyl]-2H-tetrazol-2-yl}acetamide
Compound characteristics
| Compound ID: | 8017-0246 |
| Compound Name: | N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{5-[4-(trifluoromethyl)phenyl]-2H-tetrazol-2-yl}acetamide |
| Molecular Weight: | 446.45 |
| Molecular Formula: | C20 H17 F3 N6 O S |
| Smiles: | CC1CCc2c(C#N)c(NC(Cn3nc(c4ccc(cc4)C(F)(F)F)nn3)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.735 |
| logD: | 3.9239 |
| logSw: | -4.5937 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.262 |
| InChI Key: | PPDTWMRWXRASGH-LLVKDONJSA-N |