Basic information
- Standard SMILES
CCCCCCCCCCCc1cnc(-c2ccc(OC(=O)C3=CC(CC)CC3)cc2)nc1- InChIKey
WUAQFCJFOSYYSK-UHFFFAOYSA-N- Molecular formula
- C29H40N2O2
- Average molar mass
- 448.6 g/mol
Names & identifiers
- Preferred name
- 4-(5-Undecyl-pyrimidin-2-yl)phenyl 3-ethyl-1-cyclopentene-1-carboxylate
- IUPAC
- [4-(5-undecylpyrimidin-2-yl)phenyl] 3-ethylcyclopentene-1-carboxylate
Names & synonyms
SCHEMBL5888085WUAQFCJFOSYYSK-UHFFFAOYSA-N4-(5-Undecyl-pyrimidin-2-yl)phenyl 3-ethyl-1-cyclopentene-1-carboxylate
Database identifiers
- PubChem CID
- 15514978
Properties
Computed structural properties
- XLogP
- 9.5
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 574
Related reactions
2 records
Compound notes
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