Basic information
- Standard SMILES
CCCCCCNC(=O)Nc1ccn(CCCCCCOC(=O)CCCc2ccc3ccc4cccc5ccc2c3c45)c(=O)n1- InChIKey
QDYIPNLLKNBXEF-UHFFFAOYSA-N- Molecular formula
- C37H44N4O4
- Average molar mass
- 608.8 g/mol
Names & identifiers
- Preferred name
- 4-Pyren-1-yl-butyric acid 6-[4-(3-hexyl-ureido)-2-oxo-2H-pyrimidin-1-yl]-hexyl ester
- IUPAC
- 6-[4-(hexylcarbamoylamino)-2-oxopyrimidin-1-yl]hexyl 4-pyren-1-ylbutanoate
Names & synonyms
SCHEMBL4249260QDYIPNLLKNBXEF-UHFFFAOYSA-N4-Pyren-1-yl-butyric acid 6-[4-(3-hexyl-ureido)-2-oxo-2H-pyrimidin-1-yl]-hexyl ester
Database identifiers
- PubChem CID
- 86625979
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 18
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
1 records
Compound notes
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