Basic information
- Standard SMILES
C[Si](C)(C)CCOCn1nc(-c2ccc(Br)nc2)c2c1-c1ccsc1C2- InChIKey
KJJLFLQEPDZVFW-UHFFFAOYSA-N- Molecular formula
- C19H22BrN3OSSi
- Average molar mass
- 448.5 g/mol
Names & identifiers
- Preferred name
- 6-(6-Bromo-pyridin-3-yl)-4-(2-trimethylsilanyl-ethoxymethyl)-4,7-dihydro-1-thia-4,5-diaza-cyclopenta[a]pentalene
- IUPAC
- 2-[[5-(6-bromo-3-pyridinyl)-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-3-yl]methoxy]ethyl-trimethylsilane
Names & synonyms
SCHEMBL15312322KJJLFLQEPDZVFW-UHFFFAOYSA-N6-(6-Bromo-pyridin-3-yl)-4-(2-trimethylsilanyl-ethoxymethyl)-4,7-dihydro-1-thia-4,5-diaza-cyclopenta[a]pentalene
Database identifiers
- PubChem CID
- 86699231
Properties
Computed structural properties
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 494
Related reactions
2 records
Compound notes
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