Basic information
- CAS
860650-27-7- Standard SMILES
COc1cccc(CSc2nc3cc(OC)c(OC)cc3c3nc(C)nn23)c1- InChIKey
FTMVMEHVFOROCX-UHFFFAOYSA-N- Molecular formula
- C20H20N4O3S
- Average molar mass
- 396.5 g/mol
Names & identifiers
- Preferred name
- 8,9-Dimethoxy-5-[(3-methoxybenzyl)sulfanyl]-2-methyl[1,2,4]triazolo[1,5-c]quinazoline
- IUPAC
- 8,9-dimethoxy-5-[(3-methoxyphenyl)methylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
- English name
- 3-([(8,9-Dimethoxy-2-methyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]methyl)phenyl methyl ether
- Molecular formula
- C20H20N4O3S
- Molecular weight
- 396.46
Names & synonyms
860650-27-78,9-dimethoxy-5-[(3-methoxybenzyl)sulfanyl]-2-methyl[1,2,4]triazolo[1,5-c]quinazoline8,9-dimethoxy-5-[(3-methoxyphenyl)methylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline8,9-dimethoxy-5-{[(3-methoxyphenyl)methyl]sulfanyl}-2-methyl-[1,2,4]triazolo[1,5-c]quinazolineAKOS00507920311T-0212[1,2,4]Triazolo[1,5-c]quinazoline, 8,9-dimethoxy-5-[[(3-methoxyphenyl)methyl]thio]-2-methyl-3-([(8,9-Dimethoxy-2-methyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]methyl)phenyl methyl ether
Database identifiers
- CAS
860650-27-7
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 96.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 516
Physicochemical properties
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 0.73 · 0.73±0.30(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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