3-[4-(3-methoxy-benzyloxy)-2-methyl-6-oxo-6H-pyrimidin-1-yl]-4-methyl-benzoic acid methyl ester
Basic information
- Standard SMILES
COC(=O)c1ccc(C)c(-n2c(C)nc(OCc3cccc(OC)c3)cc2=O)c1- InChIKey
HECRLVOHOYDVJR-UHFFFAOYSA-N- Molecular formula
- C22H22N2O5
- Average molar mass
- 394.4 g/mol
Names & identifiers
- Preferred name
- 3-[4-(3-methoxy-benzyloxy)-2-methyl-6-oxo-6H-pyrimidin-1-yl]-4-methyl-benzoic acid methyl ester
- IUPAC
- methyl 3-[4-[(3-methoxyphenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]-4-methylbenzoate
Names & synonyms
SCHEMBL14990006HECRLVOHOYDVJR-UHFFFAOYSA-N3-[4-(3-methoxy-benzyloxy)-2-methyl-6-oxo-6H-pyrimidin-1-yl]-4-methyl-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 86686291
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 674
Related reactions
2 records
Compound notes
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