6-(4-Methoxybenzyl)-5-oxo-5,6-dihydrothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carbaldehyde
Basic information
- Standard SMILES
COc1ccc(Cn2c(=O)n3ncnc3c3cc(C=O)sc32)cc1- InChIKey
IZYRMDCRLDLHSK-UHFFFAOYSA-N- Molecular formula
- C16H12N4O3S
- Average molar mass
- 340.4 g/mol
Names & identifiers
- Preferred name
- 6-(4-Methoxybenzyl)-5-oxo-5,6-dihydrothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carbaldehyde
- IUPAC
- 8-[(4-methoxyphenyl)methyl]-7-oxo-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,11-tetraene-11-carbaldehyde
Names & synonyms
SCHEMBL17476141IZYRMDCRLDLHSK-UHFFFAOYSA-N6-(4-methoxybenzyl)-5-oxo-5,6-dihydrothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carbaldehyde
Database identifiers
- PubChem CID
- 86705372
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 500
Related reactions
2 records
Compound notes
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