3-[5-chloro-4-(3-methoxy-benzyloxy)-2-methyl-6-oxo-6H-pyrimidin-1-yl]-4-methyl-benzoic acid
Basic information
- Standard SMILES
COc1cccc(COc2nc(C)n(-c3cc(C(=O)O)ccc3C)c(=O)c2Cl)c1- InChIKey
HHFRKXVVLONTHI-UHFFFAOYSA-N- Molecular formula
- C21H19ClN2O5
- Average molar mass
- 414.8 g/mol
Names & identifiers
- Preferred name
- 3-[5-chloro-4-(3-methoxy-benzyloxy)-2-methyl-6-oxo-6H-pyrimidin-1-yl]-4-methyl-benzoic acid
- IUPAC
- 3-[5-chloro-4-[(3-methoxyphenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]-4-methylbenzoic acid
Names & synonyms
SCHEMBL14990124HHFRKXVVLONTHI-UHFFFAOYSA-N3-[5-chloro-4-(3-methoxy-benzyloxy)-2-methyl-6-oxo-6H-pyrimidin-1-yl]-4-methyl-benzoic acid
Database identifiers
- PubChem CID
- 86686293
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 707
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Related reactions
2 records
Compound notes
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