Basic information
- Standard SMILES
CCOC(=O)C(C)(C)NC(=O)c1nnc2ccc(OCCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)nn12.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O- InChIKey
YVNWJAVRBXJKSK-LVEZLNDCSA-N- Molecular formula
- C41H48N6O13
- Average molar mass
- 832.9 g/mol
- Monoisotopic mass
- 832.32793561
Names & identifiers
- Preferred name
- N-[6-[3-[4-(Diphenylmethoxy)piperidino]propoxy][1,2,4]triazolo[4,3-b]pyridazine-3-carbonyl]-2,2-dimethylglycine ethyl ester difumarate
- IUPAC
- bis((E)-but-2-enedioic acid);ethyl 2-[[6-[3-(4-benzhydryloxypiperidin-1-yl)propoxy]-[1,2,4]triazolo[4,3-b]pyridazine-3-carbonyl]amino]-2-methylpropanoate
Names & synonyms
SCHEMBL7235172YVNWJAVRBXJKSK-LVEZLNDCSA-NN-[6-[3-[4-(Diphenylmethoxy)piperidino]propoxy][1,2,4]triazolo[4,3-b]pyridazine-3-carbonyl]-2,2-dimethylglycine ethyl ester difumarate
Database identifiers
- PubChem CID
- 70028796
Properties
Computed structural properties
- Topological polar surface area
- 269 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 18
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,000
Related reactions
1 records
Compound notes
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