6-(2,3-Di-p-tolyl-7,8-dihydropyrido[2,3-b]pyrazin-5(6H)-yl)hexanoic acid
Basic information
- Standard SMILES
Cc1ccc(-c2nc3c(nc2-c2ccc(C)cc2)N(CCCCCC(=O)O)CCC3)cc1- InChIKey
NWCWLBOQIAIKJZ-UHFFFAOYSA-N- Molecular formula
- C27H31N3O2
- Average molar mass
- 429.6 g/mol
- Monoisotopic mass
- 429.24162724
Names & identifiers
- Preferred name
- 6-(2,3-Di-p-tolyl-7,8-dihydropyrido[2,3-b]pyrazin-5(6H)-yl)hexanoic acid
- IUPAC
- 6-[2,3-bis(4-methylphenyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-5-yl]hexanoic acid
Names & synonyms
SCHEMBL15110756NWCWLBOQIAIKJZ-UHFFFAOYSA-N6-(2,3-Di-p-tolyl-7,8-dihydropyrido[2,3-b]pyrazin-5(6H)-yl)hexanoic acid
Database identifiers
- PubChem CID
- 89690127
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 66.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 583
Related reactions
1 records
Compound notes
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