2-(4-Furan-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-1-(2-methyl-2,3-dihydro-indol-1-yl)-ethanone
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Basic information
- CAS
505064-56-2- Standard SMILES
CC1Cc2ccccc2N1C(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1- InChIKey
QKPDZKMZTWBXRN-UHFFFAOYSA-N- Molecular formula
- C20H16F3N3O2S
- Average molar mass
- 419.4 g/mol
Names & identifiers
- Preferred name
- 2-(4-Furan-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-1-(2-methyl-2,3-dihydro-indol-1-yl)-ethanone
- IUPAC
- 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
- English name
- 4-(2-furyl)-6-(trifluoromethyl)-2-pyrimidinyl 2-(2-methyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl sulfide
- Molecular formula
- C20H16F3N3O2S
- Molecular weight
- 419.42
Names & synonyms
2-(4-Furan-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-1-(2-methyl-2,3-dihydro-indol-1-yl)-ethanoneSMR000011989ChemDiv3_006355MLS000073596MLS002537437CHEMBL1562269HMS1491A19HMS2507C12STK338948AKOS000557394AKOS016356738CCG-117538
Show more names
4-(2-furyl)-6-(trifluoromethyl)-2-pyrimidinyl 2-(2-methyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl sulfideEthanone, 1-(2,3-dihydro-2-methyl-1H-indol-1-yl)-2-[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-
IDI1_0242652-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanoneEU-0017080ST50270430AP-906/42285585BRD-A08630586-001-01-32-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-ylthio]-1-(2-methylindolinyl)eth an-1-one2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethanone
Database identifiers
- CAS
505064-56-2- ChEMBL
CHEMBL1562269
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 594
Physicochemical properties
- Boiling point
- 584.9 · 584.9±50.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 1.01 · 1.01±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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