Basic information
- CAS
691868-92-5- Standard SMILES
COc1cccc(CSc2nc3cc(OC)c(OC)cc3c(=N)n2Cc2cccc(C(F)(F)F)c2)c1- InChIKey
XUHFAGVCFYCCBM-UHFFFAOYSA-N- Molecular formula
- C26H24F3N3O3S
- Average molar mass
- 515.5 g/mol
Names & identifiers
- Preferred name
- 6,7-dimethoxy-2-[(3-methoxybenzyl)sulfanyl]-3-[3-(trifluoromethyl)benzyl]-4(3H)-quinazolinimine
- IUPAC
- 6,7-dimethoxy-2-[(3-methoxyphenyl)methylsulfanyl]-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine
- English name
- 6,7-Dimethoxy-2-[(3-methoxybenzyl)sulfanyl]-3-[3-(trifluoromethyl)benzyl]-4(3H)-quinazolinimine
- Molecular formula
- C26H24F3N3O3S
- Molecular weight
- 515.55
Names & synonyms
691868-92-56,7-dimethoxy-2-[(3-methoxybenzyl)sulfanyl]-3-[3-(trifluoromethyl)benzyl]-4(3H)-quinazolinimine6,7-dimethoxy-2-[(3-methoxyphenyl)methylsulfanyl]-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine6,7-dimethoxy-2-{[(3-methoxyphenyl)methyl]sulfanyl}-3-{[3-(trifluoromethyl)phenyl]methyl}-3,4-dihydroquinazolin-4-imineAKOS00507915411R-02804(3H)-Quinazolinimine, 6,7-dimethoxy-2-[[(3-methoxyphenyl)methyl]thio]-3-[[3-(trifluoromethyl)phenyl]methyl]-
Database identifiers
- CAS
691868-92-5
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 783
Physicochemical properties
- Boiling point
- 615.2 · 615.2±65.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 2.97 · 2.97±0.20(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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