2-[4-[4-(2-Methyl-tetrazol-5-yl)-2,6-dimethylphenoxy]-1-hydroxy-butyl]-7-azaindole

HCID 19082014

Basic information

Standard SMILES
Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCC(O)c1cc2cccnc2[nH]1
InChIKey
IDHGVHWWTKBXON-UHFFFAOYSA-N
Molecular formula
C21H24N6O2
Average molar mass
392.5 g/mol

Names & identifiers

Preferred name
2-[4-[4-(2-Methyl-tetrazol-5-yl)-2,6-dimethylphenoxy]-1-hydroxy-butyl]-7-azaindole
IUPAC
4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)butan-1-ol

Names & synonyms

SCHEMBL8665035IDHGVHWWTKBXON-UHFFFAOYSA-N2-[4-[4 -(2-methyl-tetrazol-5-yl)-2,6-dimethylphenoxy]1-hydroxy-butyl]-7-azaindole2-[4-[4-(2-methyl-tetrazol-5-yl)-2,6-dimethylphenoxy]-1-hydroxy-butyl]-7-azaindole

Database identifiers

PubChem CID
19082014

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
102 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
29

Related reactions

5 records

Linked notes

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