Basic information
- CAS
441783-93-3- Standard SMILES
CCSc1sc(CC)cc1C1C(C(=O)Nc2ccc(Br)cn2)=C(C)NC2=C1C(=O)CCC2- InChIKey
CYQMBEUCQWAYDA-UHFFFAOYSA-N- Molecular formula
- C24H26BrN3O2S2
- Average molar mass
- 532.5 g/mol
- Monoisotopic mass
- 531.06498
Names & identifiers
- Preferred name
- N-(5-Bromo-2-pyridinyl)-4-(5-ethyl-2-(ethylsulfanyl)-3-thienyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
- IUPAC
- N-(5-bromo-2-pyridinyl)-4-(5-ethyl-2-ethylsulfanylthiophen-3-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Names & synonyms
441783-93-3N-(5-BROMO-2-PYRIDINYL)-4-[5-ETHYL-2-(ETHYLSULFANYL)-3-THIENYL]-2-METHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDEN-(5-Bromo-2-pyridinyl)-4-(5-ethyl-2-(ethylsulfanyl)-3-thienyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamideRefChem:828063648-369-2N-(5-Bromopyridin-2-yl)-4-(5-ethyl-2-(ethylthio)thiophen-3-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamideAKOS001647659AKOS021997457SR-01000485390SR-01000485390-1
Database identifiers
- CAS
441783-93-3- PubChem CID
- 4101802
- EC Number
- 648-369-2
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 815
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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