2-Hydroxypropane-1,2,3-tricarboxylic acid--N-(1,2-dimethyl-1,2-diazinan-4-yl)-N-phenylfuran-2-carboxamide (1/1)
Basic information
- CAS
149997-06-8- Standard SMILES
CN1CCC(N(C(=O)c2ccco2)c2ccccc2)CN1C.O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
IGIXBIAKUXWXLX-UHFFFAOYSA-N- Molecular formula
- C23H29N3O9
- Average molar mass
- 491.5 g/mol
- Monoisotopic mass
- 491.19037951
Names & identifiers
- Preferred name
- 2-Hydroxypropane-1,2,3-tricarboxylic acid--N-(1,2-dimethyl-1,2-diazinan-4-yl)-N-phenylfuran-2-carboxamide (1/1)
- IUPAC
- N-(1,2-dimethyldiazinan-4-yl)-N-phenylfuran-2-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid
- English name
- N-(1,2-dimethyldiazinan-4-yl)-N-phenyl-furan-2-carboxamide, 2-hydroxyp ropane-1,2,3-tricarboxylic acid
- Molecular formula
- C23H29N3O9
- Molecular weight
- 0
Names & synonyms
149997-06-8DTXSID209338412-Hydroxypropane-1,2,3-tricarboxylic acid--N-(1,2-dimethyl-1,2-diazinan-4-yl)-N-phenylfuran-2-carboxamide (1/1)RefChem:1063457DTXCID6013624972-Furancarboxamide, N-(hexahydro-1,2-dimethyl-4-pyridazinyl)-N-phenyl-, 2-hydroxy-1,2,3-propanetricarboxylateN-(1,2-dimethyldiazinan-4-yl)-N-phenyl-furan-2-carboxamide, 2-hydroxyp ropane-1,2,3-tricarboxylic acN-(1,2-dimethyldiazinan-4-yl)-N-phenylfuran-2-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acidN-(1,2-dimethyldiazinan-4-yl)-N-phenyl-furan-2-carboxamide, 2-hydroxyp ropane-1,2,3-tricarboxylic acid
Database identifiers
- CAS
149997-06-8- PubChem CID
- 3073564
- DTXSID
DTXSID20933841
Properties
Computed structural properties
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 611
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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