Basic information
- Standard SMILES
COc1ccc(-c2nn(COCC[Si](C)(C)C)c3c2Cc2sc(-c4ccncc4)cc2-3)cc1- InChIKey
QJYQLYJGDLEYCI-UHFFFAOYSA-N- Molecular formula
- C26H29N3O2SSi
- Average molar mass
- 475.7 g/mol
- Monoisotopic mass
- 475.17497488
Names & identifiers
- Preferred name
- 6-(4-Methoxy-phenyl)-2-pyridin-4-yl-4-(2-trimethylsilanyl-ethoxymethyl)-4,7-dihydro-1-thia-4,5-diaza-cyclopenta[a]pentalene
- IUPAC
- 2-[[5-(4-methoxyphenyl)-10-pyridin-4-yl-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
SCHEMBL15312269QJYQLYJGDLEYCI-UHFFFAOYSA-N6-(4-Methoxy-phenyl)-2-pyridin-4-yl-4-(2-trimethylsilanyl-ethoxymethyl)-4,7-dihydro-1-thia-4,5-diaza-cyclopenta[a]pentalene
Database identifiers
- PubChem CID
- 86699233
Properties
Computed structural properties
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 636
Related reactions
2 records
Compound notes
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