Benzaldehyde, 3-(1-methylethoxy)-5-[1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-

HCID 73014036
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Basic information

Standard SMILES
CC(C)Oc1cc(C=O)cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)c1
InChIKey
ANKQQMZFKDAPGG-UHFFFAOYSA-N
Molecular formula
C23H20N2O4S
Average molar mass
420.5 g/mol
Monoisotopic mass
420.1143783

Names & identifiers

Preferred name
Benzaldehyde, 3-(1-methylethoxy)-5-[1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-
IUPAC
3-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-5-propan-2-yloxybenzaldehyde

Names & synonyms

1001414-26-1Benzaldehyde, 3-(1-methylethoxy)-5-[1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-isopropoxy-5-(1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)benzaldehydeSCHEMBL3347495ANKQQMZFKDAPGG-UHFFFAOYSA-NBenzaldehyde,3-(1-methylethoxy)-5-[1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-DB-315465

Database identifiers

PubChem CID
73014036

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
86.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
30

Related reactions

1 records
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Compound notes

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