Basic information
- Standard SMILES
CC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3nc(CN4CCN(S(C)(=O)=O)CC4)n(C)c3n2)cc1- InChIKey
BMEOUALTYJSZAF-UHFFFAOYSA-N- Molecular formula
- C24H32N8O4S
- Average molar mass
- 528.6 g/mol
Names & identifiers
- Preferred name
- N-(4-(9-methyl-8-((4-(methylsulfonyl)piperazin-1-yl)methyl)-6-morpholino-9H-purin-2-yl)phenyl)acetamide
- IUPAC
- N-[4-[9-methyl-8-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-morpholin-4-ylpurin-2-yl]phenyl]acetamide
Names & synonyms
SCHEMBL1114065BMEOUALTYJSZAF-UHFFFAOYSA-NN-(4-(9-methyl-8-((4-(methylsulfonyl)piperazin-1-yl)methyl)-6-morpholino-9H-purin-2-yl)phenyl)acetamide
Database identifiers
- PubChem CID
- 44543872
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 882
Related reactions
3 records
Compound notes
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