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N-[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]benzenesulfonamide (HCID 67368798)|Huagongshe
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Compound
N-[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]benzenesulfonamide
HCID
67368798
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
CCC1C(=O)N(C)c2cnc(-c3ccncc3NS(=O)(=O)c3ccccc3)nc2N1C(C)C
InChIKey
OGLSNOOVUMROJO-UHFFFAOYSA-N
Molecular formula
C23H26N6O3S
Average molar mass
466.6 g/mol
Monoisotopic mass
466.17870989
Names & identifiers
Preferred name
N-[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]benzenesulfonamide
IUPAC
N-[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]benzenesulfonamide
Names & synonyms
SCHEMBL2337313
Database identifiers
PubChem CID
67368798
Properties
Computed structural properties
XLogP
2.7
Topological polar surface area
117 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
33
Formal charge
0
Complexity
782
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1 records
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As solvent
HRID
198195
As product
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Compound notes
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