Basic information
- CAS
300557-68-0- Standard SMILES
COc1ccc(NC(=O)CC2Sc3ccc(C(F)(F)F)cc3NC2=O)cc1- InChIKey
XSSHYOHVIWKMSD-UHFFFAOYSA-N- Molecular formula
- C18H15F3N2O3S
- Average molar mass
- 396.4 g/mol
- Monoisotopic mass
- 396.075548
Names & identifiers
- Preferred name
- N-(4-methoxyphenyl)-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide
- IUPAC
- N-(4-methoxyphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
- English name
- N-(4-MeO-Ph)-2-(3-oxo-6-tri-F-Me-3,4-dihydro-2H-benzo(1,4)thiazin-2-yl)acetamide
- Molecular weight
- 0
Names & synonyms
N-(4-methoxyphenyl)-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide300557-68-0ZINC02847387STL020111ZINC00655683AKOS000523594AKOS016317508N-(4-methoxyphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamideST50449216AB00673141-01AG-690/36956047SR-01000438024
Show more names
N-(4-MeO-Ph)-2-(3-oxo-6-tri-F-Me-3,4-dihydro-2H-benzo(1,4)thiazin-2-yl)acetamide
SR-01000438024-1Z56174314F1065-0295N-(4-methoxyphenyl)-2-(3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetamideN-(4-methoxyphenyl)-2-[3-oxo-6-(trifluoromethyl)(2H,4H-benzo[e]1,4-thiazaperhy droin-2-yl)]acetamide
Database identifiers
- CAS
300557-68-0- PubChem CID
- 2870545
- EC Number
- 158-446-8
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 552
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…