3-(cyclohexylmethyl)-8,9-dimethoxy-5-{[3-(trifluoromethyl)benzyl]sulfanyl}imidazo[1,2-c]quinazolin-2(3H)-one
Basic information
- CAS
1025332-80-2- Standard SMILES
COc1cc2c(cc1OC)C1=NC(=O)C(CC3CCCCC3)N1C(SCc1cccc(C(F)(F)F)c1)=N2- InChIKey
FLMHWSTZMSEUOO-UHFFFAOYSA-N- Molecular formula
- C27H28F3N3O3S
- Average molar mass
- 531.6 g/mol
- Monoisotopic mass
- 531.18034742
Names & identifiers
- Preferred name
- 3-(cyclohexylmethyl)-8,9-dimethoxy-5-{[3-(trifluoromethyl)benzyl]sulfanyl}imidazo[1,2-c]quinazolin-2(3H)-one
- IUPAC
- 3-(cyclohexylmethyl)-8,9-dimethoxy-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-one
- English name
- 3-(CYCLOHEXYLMETHYL)-8,9-DIMETHOXY-5-([3-(TRIFLUOROMETHYL)BENZYL]SULFANYL)IMIDAZO[1,2-C]QUINAZOLIN-2(3H)-ONE
- Molecular formula
- C27H28F3N3O3S
- Molecular weight
- 531.59
Names & synonyms
1025332-80-23-(cyclohexylmethyl)-8,9-dimethoxy-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-2H,3H-imidazo[1,2-c]quinazolin-2-one3-(cyclohexylmethyl)-8,9-dimethoxy-5-{[3-(trifluoromethyl)benzyl]sulfanyl}imidazo[1,2-c]quinazolin-2(3H)-one3-(cyclohexylmethyl)-8,9-dimethoxy-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-oneAKOS0051018338R-03673-(CYCLOHEXYLMETHYL)-8,9-DIMETHOXY-5-([3-(TRIFLUOROMETHYL)BENZYL]SULFANYL)IMIDAZO[1,2-C]QUINAZOLIN-2(3H)-ONEImidazo[1,2-c]quinazolin-2(3H)-one, 3-(cyclohexylmethyl)-8,9-dimethoxy-5-[[[3-(trifluoromethyl)phenyl]methyl]thio]-
Database identifiers
- CAS
1025332-80-2- PubChem CID
- 5172208
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 892
Physicochemical properties
- Boiling point
- 622 · 622.0±65.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- -1.91 · -1.91±0.40(Predicted)
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Compound notes
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