Basic information
- CAS
62546-04-7- Standard SMILES
CCn1c(O)c(C(N)=O)c(C)c(N=Nc2cc(NC(=O)C(Br)CBr)ccc2S(=O)(=O)O)c1=O- InChIKey
XVQUDMFIBXWVCQ-UHFFFAOYSA-N- Molecular formula
- C18H19Br2N5O7S
- Average molar mass
- 609.2 g/mol
- Monoisotopic mass
- 606.93719
Names & identifiers
- Preferred name
- 2-((5-Carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo)-4-((2,3-dibromo-1-oxopropyl)amino)benzenesulphonic acid
- IUPAC
- 2-[(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]-4-(2,3-dibromopropanoylamino)benzenesulfonic acid
- English name
- 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl]azo]-4-[(2,3-dibromo-1-oxopropyl)amino]benzenesulphonic acid
- Molecular formula
- C18H19Br2N5O7S
- Molecular weight
- 609.25
Names & synonyms
62546-04-7EINECS 263-587-42-((5-Carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo)-4-((2,3-dibromo-1-oxopropyl)amino)benzenesulphonic acidBenzenesulfonic acid, 2-((5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)azo)-4-((2,3-dibromo-1-oxopropyl)amino)-SCHEMBL12173099WXUAKVXOEXJRQN-UHFFFAOYSA-NDTXSID601100661DB-324818NS000569704,5-Pyrimidinedione, 2-amino-1,6-dihydro-6-methyl-2-[2-[5-(Aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]-4-[(2,3-dibromo-1-oxopropyl)amino]benzenesulfonic acid2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl]azo]-4-[(2,3-dibromo-1-oxopropyl)amino]benzenesulphonic acid
Show more names
2-[[(5-Aminocarbonyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxopyridin)-3-yl]azo]-4-[(2,3-dibromo-1-oxopropyl)amino]benzenesulfonic acidBenzenesulfonic acid, 2-[2-[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]-4-[(2,3-dibromo-1-oxopropyl)amino]-
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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