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
- Formal charge
- 0
- Complexity
- 513
Related reactions
5 records
Linked notes
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