4-(4-{2-[2-hydroxy-2-(6-hydroxy-3-oxo-3,4-dihydro-2H-benzo[1,4]oxaazin-8-yl)-ethylamino]-2-methylpropyl}phenoxy)butyric acid
Basic information
- Standard SMILES
CC(C)(Cc1ccc(OCCCC(=O)O)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2- InChIKey
FLIKHGRDOOGIAS-UHFFFAOYSA-N- Molecular formula
- C24H30N2O7
- Average molar mass
- 458.5 g/mol
Names & identifiers
- Preferred name
- 4-(4-{2-[2-hydroxy-2-(6-hydroxy-3-oxo-3,4-dihydro-2H-benzo[1,4]oxaazin-8-yl)-ethylamino]-2-methylpropyl}phenoxy)butyric acid
- IUPAC
- 4-[4-[2-[[2-hydroxy-2-(6-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethyl]amino]-2-methylpropyl]phenoxy]butanoic acid
Names & synonyms
SCHEMBL153318SCHEMBL29798912FLIKHGRDOOGIAS-UHFFFAOYSA-N4-(4-{2-[2-hydroxy-2-(6-hydroxy-3-oxo-3,4-dihydro-2H-benzo[1,4]oxaazin-8-yl)-ethylamino]-2-methylpropyl}phenoxy)butyric acid4-(4-{2-[2-hydroxy-2-(6-hydroxy-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-8-yl)-ethylamino]-2-methyl-propyl}-phenoxy)-butyric Acid4-(4-{2-[2-hydroxy-2-(6-hydroxy-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-8-yl)-ethylamino]-2-methylpropyl}phenoxy)butyric acid
Database identifiers
- PubChem CID
- 11626717
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 651
Related reactions
5 records
Compound notes
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