N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetamide
Chemical Structure Depiction of
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetamide
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetamide
Compound characteristics
| Compound ID: | 8016-7016 |
| Compound Name: | N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetamide |
| Molecular Weight: | 401.49 |
| Molecular Formula: | C19 H23 N5 O3 S |
| Smiles: | Cc1ncc([N+]([O-])=O)n1CC(Nc1c(C#N)c2CCC(Cc2s1)C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7943 |
| logD: | 2.4415 |
| logSw: | -4.1001 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.609 |
| InChI Key: | RDWDJLQLXRMWLU-GFCCVEGCSA-N |