Basic information
- Standard SMILES
CCN1C(=O)OC(C)(C)c2cc(C)c(-c3cc(C=CC(=O)OC(C)(C)C)ccc3OC(F)(F)F)cc21- InChIKey
HAPOSGVVMVDESW-UHFFFAOYSA-N- Molecular formula
- C27H30F3NO5
- Average molar mass
- 505.5 g/mol
Names & identifiers
- Preferred name
- 3-[3-(1-Ethyl-4,4,6-trimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-7-yl)-4-trifluoromethoxy-phenyl]-acrylic acid tert-butyl ester
- IUPAC
- tert-butyl 3-[3-(1-ethyl-4,4,6-trimethyl-2-oxo-3,1-benzoxazin-7-yl)-4-(trifluoromethoxy)phenyl]prop-2-enoate
Names & synonyms
3-[3-(1-Ethyl-4,4,6-trimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-7-yl)-4-trifluoromethoxy-phenyl]-acrylic acid tert-butyl esterSCHEMBL3290354
Database identifiers
- PubChem CID
- 68583252
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 834
Related reactions
4 records
Compound notes
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