Basic information
- Standard SMILES
COC[C@H](C)Oc1cc(Oc2ccc3c(c2)OCN(C)C3=O)cc(C(=O)O)c1- InChIKey
PPSTXULCXCAGFK-LBPRGKRZSA-N- Molecular formula
- C20H21NO7
- Average molar mass
- 387.4 g/mol
Names & identifiers
- Preferred name
- 3-{[(1S)-1-methyl-2-(methyloxy)ethyl]oxy}-5-[(3-methyl-4-oxo-3,4-dihydro-2H-1,3-benzoxazin-7-yl)oxy]benzoic acid
- IUPAC
- 3-[(2S)-1-methoxypropan-2-yl]oxy-5-[(3-methyl-4-oxo-2H-1,3-benzoxazin-7-yl)oxy]benzoic acid
Names & synonyms
SCHEMBL1775968PPSTXULCXCAGFK-LBPRGKRZSA-N3-{[(1S)-1-methyl-2-(methyloxy)ethyl]oxy}-5-[(3-methyl-4-oxo-3,4-dihydro-2H-1,3-benzoxazin-7-yl)oxy]benzoic acid
Database identifiers
- PubChem CID
- 57663191
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 557
Related reactions
2 records
Compound notes
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