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7-hydroxy-6-[(7-hydroxy-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

HCID 178657017
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Basic information

CAS
308107-88-2
Standard SMILES
COc1cc(C(c2c(O)nc3n(c2=O)CCS3)c2c(O)nc3n(c2=O)CCS3)cc(OC)c1OC
InChIKey
CHDVGPSQEURBCJ-UHFFFAOYSA-N
Molecular formula
C22H22N4O7S2
Average molar mass
518.6 g/mol
Monoisotopic mass
518.0929914

Names & identifiers

Preferred name
7-hydroxy-6-[(7-hydroxy-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
IUPAC
7-hydroxy-6-[(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
English name
7-hydroxy-6-[(7-hydroxy-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Molecular formula
C22H22N4O7S2
Molecular weight
518.56

Names & synonyms

AG-670/11900009STK603851AKOS005221494ST510224576,6'-((3,4,5-trimethoxyphenyl)methylene)bis(7-hydroxy-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one)6,6'-[(3,4,5-trimethoxyphenyl)methanediyl]bis(7-hydroxy-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one)7-hydroxy-6-[(7-hydroxy-5-oxo(4-hydro-2H,3H-1,3-thiazolidino[3,2-a]pyrimidin-6 -yl))(3,4,5-trimethoxyphenyl)methyl]-4-hydro-2H,3H-1,3-thiazolidino[3,2-a]pyri midin-5-one7-hydroxy-6-[(7-hydroxy-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one5H-Thiazolo[3,2-a]pyrimidin-5-one, 6,6'-[(3,4,5-trimethoxyphenyl)methylene]bis[2,3-dihydro-7-hydroxy-

Database identifiers

CAS
308107-88-2
PubChem CID
135488391

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
184 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
11
Rotatable bonds
6
Heavy atoms
35
Formal charge
0
Complexity
980

Physicochemical properties

Boiling point
715.2 · 715.2±70.0 °C(Predicted)
Density
1.67 · 1.67±0.1 g/cm3(Predicted)
pka
4.2 · 4.20±1.00(Predicted)

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