N-(2,5-Dimethoxyphenyl)-3-hydroxy-4-((5-((2-hydroxyethyl)sulphonyl)-2-methoxyphenyl)azo)naphthalene-2-carboxamide
Basic information
- CAS
79641-12-6- Standard SMILES
COc1ccc(OC)c(NC(=O)c2cc3ccccc3c(N=Nc3cc(S(=O)(=O)CCO)ccc3OC)c2O)c1- InChIKey
GQGXSIQPECXJTG-UHFFFAOYSA-N- Molecular formula
- C28H27N3O8S
- Average molar mass
- 565.6 g/mol
- Monoisotopic mass
- 565.151886
Names & identifiers
- Preferred name
- N-(2,5-Dimethoxyphenyl)-3-hydroxy-4-((5-((2-hydroxyethyl)sulphonyl)-2-methoxyphenyl)azo)naphthalene-2-carboxamide
- IUPAC
- N-(2,5-dimethoxyphenyl)-3-hydroxy-4-[[5-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]diazenyl]naphthalene-2-carboxamide
- English name
- N-(2,5-dimethoxyphenyl)-3-hydroxy-4-[[5-[(2-hydroxyethyl)sulphonyl]-2-methoxyphenyl]azo]naphthalene-2-carboxamide
- Molecular formula
- C28H27N3O8S
- Molecular weight
- 565.6
Names & synonyms
79641-12-6EINECS 279-202-8N-(2,5-Dimethoxyphenyl)-3-hydroxy-4-((5-((2-hydroxyethyl)sulphonyl)-2-methoxyphenyl)azo)naphthalene-2-carboxamideGQGXSIQPECXJTG-UHFFFAOYSA-NDTXSID201105388NS00060626N-(2,5-Dimethoxyphenyl)-3-hydroxy-4-[2-[5-[(2-hydroxyethyl)sulfonyl]-2-methoxyphenyl]diazenyl]-2-naphthalenecarboxamideN-(2,5-Dimethoxyphenyl)-3-hydroxy-4-[[5-[(2-hydroxyethyl)sulfonyl]-2-methoxyphenyl]azo]-2-naphthalenecarboxamideN-(2,5-dimethoxyphenyl)-3-hydroxy-4-[[5-[(2-hydroxyethyl)sulphonyl]-2-methoxyphenyl]azo]naphthalene-2-carboxamide2-Naphthalenecarboxamide,N-(2,5-dimethoxyphenyl)-3-hydroxy-4-[2-[5-[(2-hydroxyethyl)sulfonyl]-2-methoxyphenyl]diazenyl]-
Database identifiers
- CAS
79641-12-6- PubChem CID
- 3018846
- DTXSID
DTXSID201105388- EC Number
- 279-202-8
- Nikkaji
- J320.124D
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 960
Physicochemical properties
- Boiling point
- 792.334 · 792.334±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.374 · 1.374±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.906 · 10.906±0.70(predicted)
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