4-(1-((9-methyl-6-morpholino-2-(1-(phenylsulfonyl)-1H-indol-3-yl)-9H-purin-8-yl)methyl)piperidin-4-yl)morpholine

HCID 59603501

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

Related reactions

3 records

Compound notes

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