Basic information
- CAS
38185-69-2- Standard SMILES
COC(=O)C1=C(C(=O)OC)C(C(=O)OC)N2c3cc(C)ccc3-c3ccc(C)cc3N2C1C(=O)OC- InChIKey
WNQRIIFMYDTBOH-UHFFFAOYSA-N- Molecular formula
- C26H26N2O8
- Average molar mass
- 494.5 g/mol
- Monoisotopic mass
- 494.16891579
Names & identifiers
- Preferred name
- Tetramethyl 3,12-dimethyl-6,9-dihydrobenzo[c]pyridazino[1,2-a]cinnoline-6,7,8,9-tetracarboxylate
- IUPAC
- tetramethyl 4,11-dimethyl-1,14-diazatetracyclo[12.4.0.02,7.08,13]octadeca-2(7),3,5,8(13),9,11,16-heptaene-15,16,17,18-tetracarboxylate
- English name
- 6,9-Dihydro-3,12-dimethylbenzo[c]pyridazino[1,2-a]cinnoline-6,7,8,9-tetracarboxylic acid tetramethyl ester
- Molecular weight
- 0
Names & synonyms
WNQRIIFMYDTBOH-UHFFFAOYSA-NBenzo[c]pyridazino[1,2-a]cinnoline-1,2,3,4-tetracarboxylic acid, 1,4-dihydro-5,10-dimethyl-, tetramethyl esterTetramethyl 3,12-dimethyl-6,9-dihydrobenzo[c]pyridazino[1,2-a]cinnoline-6,7,8,9-tetracarboxylate #6,9-Dihydro-3,12-dimethylbenzo[c]pyridazino[1,2-a]cinnoline-6,7,8,9-tetracarboxylic acid tetramethyl ester
Database identifiers
- CAS
38185-69-2- PubChem CID
- 634857
- Nikkaji
- J144.767J
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 874
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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