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Basic information
- Standard SMILES
CCOC(=O)CNCc1ccc(Cc2c(C)nc(N)nc2OS(=O)(=O)c2c(C)cc(C)cc2C)c(OC)c1- InChIKey
WAYJSKUOQXILCQ-UHFFFAOYSA-N- Molecular formula
- C27H34N4O6S
- Average molar mass
- 542.6 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-(4-((2-amino-4-(mesitylsulfonyloxy)-6-methylpyrimidin-5-yl)methyl)-3-methoxybenzylamino)acetate
- IUPAC
- ethyl 2-[[4-[[2-amino-4-methyl-6-(2,4,6-trimethylphenyl)sulfonyloxypyrimidin-5-yl]methyl]-3-methoxyphenyl]methylamino]acetate
Names & synonyms
SCHEMBL15392197WAYJSKUOQXILCQ-UHFFFAOYSA-Nethyl 2-(4-((2-amino-4-(mesitylsulfonyloxy)-6-methylpyrimidin-5-yl)methyl)-3-methoxybenzylamino)acetate
Database identifiers
- PubChem CID
- 89907264
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 843
Related reactions
2 records
Compound notes
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