N-{5-[4-(2-Trimethylsilanyl-ethoxymethyl)-4,7-dihydro-1-thia-4,5-diaza-cyclopenta[a]pentalen-6-yl]-pyridin-2-yl}-acetamide
Basic information
- Standard SMILES
CC(=O)Nc1ccc(-c2nn(COCC[Si](C)(C)C)c3c2Cc2sccc2-3)cn1- InChIKey
LEZZYZCIHLBQDT-UHFFFAOYSA-N- Molecular formula
- C21H26N4O2SSi
- Average molar mass
- 426.6 g/mol
Names & identifiers
- Preferred name
- N-{5-[4-(2-Trimethylsilanyl-ethoxymethyl)-4,7-dihydro-1-thia-4,5-diaza-cyclopenta[a]pentalen-6-yl]-pyridin-2-yl}-acetamide
- IUPAC
- N-[5-[3-(2-trimethylsilylethoxymethyl)-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-5-yl]-2-pyridinyl]acetamide
Names & synonyms
SCHEMBL15312267LEZZYZCIHLBQDT-UHFFFAOYSA-NN-{5-[4-(2-Trimethylsilanyl-ethoxymethyl)-4,7-dihydro-1-thia-4,5-diaza-cyclopenta[a]pentalen-6-yl]-pyridin-2-yl}-acetamide
Database identifiers
- PubChem CID
- 86699232
Properties
Computed structural properties
- Topological polar surface area
- 97.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 590
Related reactions
2 records
Compound notes
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