N-(2-Bromo-4,6-difluorophenyl)-2-((3-ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno(2,3-D)pyrimidin-2-YL)sulfanyl)acetamide
Basic information
- CAS
587003-80-3- Standard SMILES
CCn1c(SCC(=O)Nc2c(F)cc(F)cc2Br)nc2sc(C)c(C)c2c1=O- InChIKey
SCPOOLIZAJPYIT-UHFFFAOYSA-N- Molecular formula
- C18H16BrF2N3O2S2
- Average molar mass
- 488.4 g/mol
- Monoisotopic mass
- 486.98354
Names & identifiers
- Preferred name
- N-(2-Bromo-4,6-difluorophenyl)-2-((3-ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno(2,3-D)pyrimidin-2-YL)sulfanyl)acetamide
- IUPAC
- N-(2-bromo-4,6-difluorophenyl)-2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
Names & synonyms
587003-80-3N-(2-bromo-4,6-difluorophenyl)-2-[(3-ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamideN-(2-Bromo-4,6-difluorophenyl)-2-((3-ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno(2,3-D)pyrimidin-2-YL)sulfanyl)acetamideRefChem:825053638-148-9N-(2-Bromo-4,6-difluorophenyl)-2-((3-ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamideSTL341960AKOS002188430ST50081300N-(2-bromo-4,6-difluorophenyl)-2-(3-ethyl-5,6-dimethyl-4-oxo(3-hydrothiopheno[ 2,3-d]pyrimidin-2-ylthio))acetamide
Database identifiers
- CAS
587003-80-3- PubChem CID
- 1993387
- EC Number
- 638-148-9
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 656
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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