4-Cyano-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazole-2-carboxylic acid [2-cyclohex-1-enyl-4-(1,1-dioxo-hexahydro-1lambda6-thiopyran-4-yl)-phenyl]-amide
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Basic information
- Standard SMILES
C[Si](C)(C)CCOCn1cc(C#N)nc1C(=O)Nc1ccc(C2CCS(=O)(=O)CC2)cc1C1=CCCCC1- InChIKey
XDBJVUPIENJZPL-UHFFFAOYSA-N- Molecular formula
- C28H38N4O4SSi
- Average molar mass
- 554.8 g/mol
- Monoisotopic mass
- 554.23830341
Names & identifiers
- Preferred name
- 4-Cyano-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazole-2-carboxylic acid [2-cyclohex-1-enyl-4-(1,1-dioxo-hexahydro-1lambda6-thiopyran-4-yl)-phenyl]-amide
- IUPAC
- 4-cyano-N-[2-(cyclohexen-1-yl)-4-(1,1-dioxothian-4-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
Names & synonyms
SCHEMBL4980504XDBJVUPIENJZPL-UHFFFAOYSA-N4-Cyano-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazole-2-carboxylic acid [2-cyclohex-1-enyl-4-(1,1-dioxo-hexahydro-1lambda6-thiopyran-4-yl)-phenyl]-amide4-Cyano-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazole-2-carboxylic acid[2-cyclohex-1-enyl-4-(1,1-dioxo-hexahydro-1lambda6-thiopyran-4-yl)-phenyl]-amide
Database identifiers
- PubChem CID
- 59128583
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 998
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Related reactions
15 records
Compound notes
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