(S)-2,8-diisopropyl-2H-1,4-benzoxazin-3(4H)-one
Basic information
- Standard SMILES
CC(C)c1cccc2c1O[C@@H](C(C)C)C(=O)N2- InChIKey
SXLOLHQJLWCUDR-LBPRGKRZSA-N- Molecular formula
- C14H19NO2
- Average molar mass
- 233.31 g/mol
Names & identifiers
- Preferred name
- (S)-2,8-diisopropyl-2H-1,4-benzoxazin-3(4H)-one
- IUPAC
- (2S)-2,8-di(propan-2-yl)-4H-1,4-benzoxazin-3-one
Names & synonyms
SCHEMBL10358533SXLOLHQJLWCUDR-LBPRGKRZSA-N(S)-2,8-diisopropyl-2H-1,4-benzoxazin-3(4H)-one
Database identifiers
- PubChem CID
- 7210282
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 288
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Related reactions
2 records
Compound notes
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