Basic information
- Standard SMILES
CCCCN1C(=O)COc2ccc(C(=O)OC)cc21- InChIKey
YJFRGDHWSAKOST-UHFFFAOYSA-N- Molecular formula
- C14H17NO4
- Average molar mass
- 263.29 g/mol
Names & identifiers
- Preferred name
- Methyl 4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
- IUPAC
- methyl 4-butyl-3-oxo-1,4-benzoxazine-6-carboxylate
Names & synonyms
SCHEMBL3352037YJFRGDHWSAKOST-UHFFFAOYSA-NMethyl 4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
Database identifiers
- PubChem CID
- 21086200
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 344
Related reactions
5 records
Compound notes
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