Benzoic acid, 2,2'-((dihydro-5,5-diethyl-2,4,6-trioxo-1,3(2H,4H)-pyrimidinediyl)bis((1-oxo-2,1-ethanediyl)imino))bis-
Basic information
- CAS
70959-44-3- Standard SMILES
CCC1(CC)C(=O)N(CC(=O)Nc2ccccc2C(=O)O)C(=O)N(CC(=O)Nc2ccccc2C(=O)O)C1=O- InChIKey
JPPSTJREFBUYLW-UHFFFAOYSA-N- Molecular formula
- C26H26N4O9
- Average molar mass
- 538.5 g/mol
- Monoisotopic mass
- 538.16997842
Names & identifiers
- Preferred name
- Benzoic acid, 2,2'-((dihydro-5,5-diethyl-2,4,6-trioxo-1,3(2H,4H)-pyrimidinediyl)bis((1-oxo-2,1-ethanediyl)imino))bis-
- IUPAC
- 2-[[2-[3-[2-(2-carboxyanilino)-2-oxoethyl]-5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl]acetyl]amino]benzoic acid
Names & synonyms
Benzoic acid, 2,2'-((dihydro-5,5-diethyl-2,4,6-trioxo-1,3(2H,4H)-pyrimidinediyl)bis((1-oxo-2,1-ethanediyl)imino))bis-70959-44-3BRN 0737095DTXSID402211912,2'-{(5,5-Diethyl-2,4,6-trioxo-1,3-diazinane-1,3-diyl)bis[(1-oxoethane-2,1-diyl)azanediyl]}dibenzoic acid
Database identifiers
- CAS
70959-44-3- PubChem CID
- 51219
- DTXSID
DTXSID40221191
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 190 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 951
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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