Basic information
- CAS
662156-18-5- Standard SMILES
COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCC(=O)Nc1ccccc1- InChIKey
XKBFVLCMEVTYDL-UHFFFAOYSA-N- Molecular formula
- C32H34BrNO6
- Average molar mass
- 608.5 g/mol
- Monoisotopic mass
- 607.15695
Names & identifiers
- Preferred name
- 2-[2-bromo-6-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenoxy]-N-phenylacetamide
- IUPAC
- 2-[2-bromo-6-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)phenoxy]-N-phenylacetamide
- English name
- 2-[2-bromo-6-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenoxy]-N-phenylacetamide
- Molecular formula
- C32H34BrNO6
- Molecular weight
- 608.51946
Names & synonyms
2-[2-bromo-6-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenoxy]-N-phenylacetamideAM-879/42011020STL553914AKOS0023433112-[2-bromo-6-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)phenoxy]-N-phenylacetamide
Database identifiers
- CAS
662156-18-5- PubChem CID
- 3661954
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,050
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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