Basic information
- CAS
1024013-32-8- Standard SMILES
COc1cc2c(cc1OC)C1=NC(=O)C(CC3CCCCC3)N1C(SCc1ccccc1Cl)=N2- InChIKey
IRLJWPAUDDUVEY-UHFFFAOYSA-N- Molecular formula
- C26H28ClN3O3S
- Average molar mass
- 498 g/mol
Names & identifiers
- Preferred name
- 5-[(2-chlorobenzyl)sulfanyl]-3-(cyclohexylmethyl)-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one
- IUPAC
- 5-[(2-chlorophenyl)methylsulfanyl]-3-(cyclohexylmethyl)-8,9-dimethoxy-3H-imidazo[1,2-c]quinazolin-2-one
- English name
- 5-[(2-Chlorobenzyl)sulfanyl]-3-(cyclohexylmethyl)-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one
- Molecular formula
- C26H28ClN3O3S
- Molecular weight
- 498.04
Names & synonyms
1024013-32-85-[(2-chlorobenzyl)sulfanyl]-3-(cyclohexylmethyl)-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one5-{[(2-chlorophenyl)methyl]sulfanyl}-3-(cyclohexylmethyl)-8,9-dimethoxy-2H,3H-imidazo[1,2-c]quinazolin-2-one5-[(2-chlorophenyl)methylsulfanyl]-3-(cyclohexylmethyl)-8,9-dimethoxy-3H-imidazo[1,2-c]quinazolin-2-oneAKOS0050991276R-0242Imidazo[1,2-c]quinazolin-2(3H)-one, 5-[[(2-chlorophenyl)methyl]thio]-3-(cyclohexylmethyl)-8,9-dimethoxy-
Database identifiers
- CAS
1024013-32-8
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 802
Physicochemical properties
- Boiling point
- 645.4 · 645.4±65.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- -1.95 · -1.95±0.40(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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