4,5-Dihydro-7-(3,4-dimethoxyphenyl)-4-methyl-5-(2,4,6-trimethylphenylimino)tetrazolo[1,5-a]pyrimidine

HCID 20152257
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Basic information

Standard SMILES
COc1ccc(-c2cc(=Nc3c(C)cc(C)cc3C)n(C)c3nnnn23)cc1OC
InChIKey
MDSUFCJGVSYURC-UHFFFAOYSA-N
Molecular formula
C22H24N6O2
Average molar mass
404.5 g/mol

Names & identifiers

Preferred name
4,5-Dihydro-7-(3,4-dimethoxyphenyl)-4-methyl-5-(2,4,6-trimethylphenylimino)tetrazolo[1,5-a]pyrimidine
IUPAC
7-(3,4-dimethoxyphenyl)-4-methyl-N-(2,4,6-trimethylphenyl)tetrazolo[1,5-a]pyrimidin-5-imine

Names & synonyms

SCHEMBL10686657SCHEMBL10686660MDSUFCJGVSYURC-UHFFFAOYSA-N4,5-dihydro-7-(3,4-dimethoxyphenyl)-4-methyl-5-(2,4,6-trimethylphenylimino)tetrazolo[1,5-a]pyrimidine

Database identifiers

PubChem CID
20152257

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
77.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
30

Related reactions

1 records
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Linked notes

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