Basic information
- Standard SMILES
CCc1c(Oc2cc(C)cc(C)c2)n(Cc2nc3ccccc3o2)c(=O)[nH]c1=O- InChIKey
KOALVTQYYCIJSG-UHFFFAOYSA-N- Molecular formula
- C22H21N3O4
- Average molar mass
- 391.4 g/mol
Names & identifiers
- Preferred name
- 1-(Benzoxazol-2-ylmethyl)-5-ethyl-6-(3,5-dimethylphenoxy)-2,4-pyrimidinedione
- IUPAC
- 1-(1,3-benzoxazol-2-ylmethyl)-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione
Names & synonyms
SCHEMBL6087657KOALVTQYYCIJSG-UHFFFAOYSA-N1-(1,3-benzoxazol-2-ylmethyl)-6-(3,5-dimethylphenoxy)-5-ethyl-pyrimidine-2,4-dione1-(Benzoxazol-2-ylmethyl)-5-ethyl-6-(3,5-dimethylphenoxy)-2,4-pyrimidinedione2,4(1H,3H)-Pyrimidinedione, 1-(2-benzoxazolylmethyl)-6-(3,5-dimethylphenoxy)-5-ethyl-
Database identifiers
- PubChem CID
- 9800627
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 669
Related reactions
2 records
Compound notes
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