Basic information
- Standard SMILES
Cn1c(CN2CCC(N3CCOCC3)CC2)nc2c(N3CCOCC3)nc(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)nc21- InChIKey
SOOOGISUSFIDRI-UHFFFAOYSA-N- Molecular formula
- C34H40N8O4S
- Average molar mass
- 656.8 g/mol
- Monoisotopic mass
- 656.28932296
Names & identifiers
- Preferred name
- 4-(1-((9-methyl-6-morpholino-2-(1-(phenylsulfonyl)-1H-indol-3-yl)-9H-purin-8-yl)methyl)piperidin-4-yl)morpholine
- IUPAC
- 4-[1-[[2-[1-(benzenesulfonyl)indol-3-yl]-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]morpholine
Names & synonyms
SCHEMBL2110896SOOOGISUSFIDRI-UHFFFAOYSA-N4-(1-((9-methyl-6-morpholino-2-(1-(phenylsulfonyl)-1H-indol-3-yl)-9H-purin-8-yl)methyl)piperidin-4-yl)morpholine
Database identifiers
- PubChem CID
- 59603501
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,140
Related reactions
3 records
Compound notes
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