N-(2,6-Difluorophenyl)-2-methyl-4-(5-methyl-2-(methylsulfanyl)-3-thienyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
Basic information
- CAS
441783-82-0- Standard SMILES
CSc1sc(C)cc1C1C(C(=O)Nc2c(F)cccc2F)=C(C)NC2=C1C(=O)CC(c1ccccc1)C2- InChIKey
GHQKALYPFGWGPK-UHFFFAOYSA-N- Molecular formula
- C29H26F2N2O2S2
- Average molar mass
- 536.7 g/mol
- Monoisotopic mass
- 536.14037675
Names & identifiers
- Preferred name
- N-(2,6-Difluorophenyl)-2-methyl-4-(5-methyl-2-(methylsulfanyl)-3-thienyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
- IUPAC
- N-(2,6-difluorophenyl)-2-methyl-4-(5-methyl-2-methylsulfanylthiophen-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Names & synonyms
441783-82-0N-(2,6-difluorophenyl)-2-methyl-4-[5-methyl-2-(methylsulfanyl)-3-thienyl]-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamideN-(2,6-Difluorophenyl)-2-methyl-4-(5-methyl-2-(methylsulfanyl)-3-thienyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamideRefChem:824148648-450-2N-(2,6-Difluorophenyl)-2-methyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamideAKOS001647657AKOS021997439SR-01000485373SR-01000485373-1N-(2,6-DIFLUOROPHENYL)-2-METHYL-4-[5-METHYL-2-(METHYLSULFANYL)THIOPHEN-3-YL]-5-OXO-7-PHENYL-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXAMIDE
Database identifiers
- CAS
441783-82-0- PubChem CID
- 3349049
- EC Number
- 648-450-2
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 954
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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