Basic information
- Standard SMILES
CCCCCCCCCCC1Cc2ccc(-c3ncc(OCCCc4ccccc4)cn3)cc2C1- InChIKey
UMMOFVRTXVTVED-UHFFFAOYSA-N- Molecular formula
- C32H42N2O
- Average molar mass
- 470.7 g/mol
- Monoisotopic mass
- 470.32971397
Names & identifiers
- Preferred name
- 2-(2-Decylindan-5-yl)-5-(3-phenylpropyloxy)pyrimidine
- IUPAC
- 2-(2-decyl-2,3-dihydro-1H-inden-5-yl)-5-(3-phenylpropoxy)pyrimidine
Names & synonyms
SCHEMBL8541302UMMOFVRTXVTVED-UHFFFAOYSA-N2-(2-decylindan-5-yl)-5-(3-phenylpropyloxy)pyrimidine
Database identifiers
- PubChem CID
- 19375360
Properties
Computed structural properties
- XLogP
- 10.1
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 15
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 540
Related reactions
1 records
Compound notes
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