Basic information
- CAS
496786-55-1- Standard SMILES
CC1=C(C(=O)Nc2ccccc2C(F)(F)F)C(c2ccc3c(c2)OCO3)C2=C(CC(C)(C)CC2=O)N1- InChIKey
FVMXPUJLVRCDOH-UHFFFAOYSA-N- Molecular formula
- C27H25F3N2O4
- Average molar mass
- 498.5 g/mol
- Monoisotopic mass
- 498.17664177
Names & identifiers
- Preferred name
- 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-N-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
- IUPAC
- 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-N-[2-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxamide
- English name
- 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-N-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
- Molecular formula
- C27H25F3N2O4
- Molecular weight
- 498.4936096
Names & synonyms
4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-N-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamideAN-919/40668489AKOS0244126264-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-N-[2-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxamide
Database identifiers
- CAS
496786-55-1- PubChem CID
- 3720439
- EC Number
- 132-961-8
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 986
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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