Methyl 3-[4-(azetidine-1-carbonyl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoate
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Basic information
- Standard SMILES
COC(=O)c1cc(Oc2ccc(C(=O)N3CCC3)cc2)cc(OC2CCN(C)C2=O)c1- InChIKey
WREQWQZPAMZWPY-UHFFFAOYSA-N- Molecular formula
- C23H24N2O6
- Average molar mass
- 424.4 g/mol
- Monoisotopic mass
- 424.16343649
Names & identifiers
- Preferred name
- Methyl 3-[4-(azetidine-1-carbonyl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoate
- IUPAC
- methyl 3-[4-(azetidine-1-carbonyl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoate
Names & synonyms
SCHEMBL2657926
Database identifiers
- PubChem CID
- 67486409
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 85.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 673
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Related reactions
2 records
Compound notes
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