Basic information
- Standard SMILES
COc1cc(CN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)C2(C)C)cc(OC)c1- InChIKey
ISTSPBZGEFTDAT-UHFFFAOYSA-N- Molecular formula
- C23H27N5O5
- Average molar mass
- 453.5 g/mol
Names & identifiers
- Preferred name
- 1-(3,5-dimethoxybenzyl)-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-5,5-dimethylimidazolidine-2,4-dione
- IUPAC
- 1-[(3,5-dimethoxyphenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione
Names & synonyms
SCHEMBL1279388CHEMBL3973161ISTSPBZGEFTDAT-UHFFFAOYSA-NBDBM211367US9247759, 12-181-(3,5-dimethoxybenzyl)-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-5,5-dimethylimidazolidine-2,4-dione
Database identifiers
- PubChem CID
- 53375151
- ChEMBL
CHEMBL3973161
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 724
Related reactions
8 records
Compound notes
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