Basic information
- Standard SMILES
CCCCCCCCCCCc1cnc(-c2ccc(OC(=O)C3CCC(CCC)S3)cc2)nc1- InChIKey
YPWPWNMRJDBHKE-UHFFFAOYSA-N- Molecular formula
- C29H42N2O2S
- Average molar mass
- 482.7 g/mol
Names & identifiers
- Preferred name
- [4(5-Undecyl-pyrimidin-2-yl)phenyl] 5-propyl-tetrahydrothiophene-2-carboxylate
- IUPAC
- [4-(5-undecylpyrimidin-2-yl)phenyl] 5-propylthiolane-2-carboxylate
Names & synonyms
SCHEMBL7687415YPWPWNMRJDBHKE-UHFFFAOYSA-N[4(5-Undecyl-pyrimidin-2-yl)phenyl] 5-propyl-tetrahydrothiophene-2-carboxylate
Database identifiers
- PubChem CID
- 15510032
Properties
Computed structural properties
- XLogP
- 9.8
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 16
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 544
Related reactions
2 records
Compound notes
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