Basic information
- CAS
673443-87-3- Standard SMILES
Cc1c(O)nc(SC2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)[nH]c1=O- InChIKey
KCGMDBWYBHBFKX-UHFFFAOYSA-N- Molecular formula
- C15H11Cl2N3O4S
- Average molar mass
- 400.2 g/mol
- Monoisotopic mass
- 398.9847324
Names & identifiers
- Preferred name
- 1-(3,5-Dichlorophenyl)-3-[(4,6-dihydroxy-5-methyl-2-pyrimidinyl)thio]-2,5-pyrrolidinedione
- IUPAC
- 1-(3,5-dichlorophenyl)-3-[(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione
- English name
- 1-(3,5-dichlorophenyl)-3-[(4,6-dihydroxy-5-methyl-2-pyrimidinyl)thio]-2,5-pyrrolidinedione
- Molecular formula
- C15H11Cl2N3O4S
- Molecular weight
- 400.24
Names & synonyms
1-(3,5-dichlorophenyl)-3-[(4,6-dihydroxy-5-methyl-2-pyrimidinyl)thio]-2,5-pyrrolidinedione673443-87-31-(3,5-dichlorophenyl)-3-[(4,6-dihydroxy-5-methylpyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione1-(3,5-dichlorophenyl)-3-((4,6-dihydroxy-5-methylpyrimidin-2-yl)thio)pyrrolidine-2,5-dione1-(3,5-dichlorophenyl)-3-[(4,6-dihydroxy-5-methylpyrimidin-2-yl)thio]pyrrolidine-2,5-dione1-(3,5-dichlorophenyl)-3-[(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dioneMLS001178989CHEMBL2138690HMS2795G23STK137251STL046154AKOS002231122
Show more names
2,5-Pyrrolidinedione, 1-(3,5-dichlorophenyl)-3-[(1,6-dihydro-4-hydroxy-5-methyl-6-oxo-2-pyrimidinyl)thio]-
AKOS005699197AKOS016302295SMR000476497ST50106821AJ-292/422848501-(3,5-dichlorophenyl)-3-(4,6-dihydroxy-5-methylpyrimidin-2-ylthio)azolidine-2 ,5-dione1-(3,5-dichlorophenyl)-3-[(4-hydroxy-5-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 686
Experimental & physicochemical properties
Solubility>60 [ug/mL] (The mean of the results at pH 7.4)
Chemistry & industry
Suppliers4 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…