Sbb059202
Basic information
- CAS
57202-52-5- Standard SMILES
CCCCCCCCCCOc1ccc(-c2ncc(CCCCCCCC)cn2)cc1- InChIKey
CZVGOAPQSLSDNN-UHFFFAOYSA-N- Molecular formula
- C28H44N2O
- Average molar mass
- 424.7 g/mol
- Monoisotopic mass
- 424.34536403
Names & identifiers
- Preferred name
- Sbb059202
- IUPAC
- 2-(4-decoxyphenyl)-5-octylpyrimidine
- English name
- 2-(4-DECYLOXYPHENYL)-5-OCTYLPYRIMIDINE
- Molecular formula
- C28H44N2O
- Molecular weight
- 424.66
Names & synonyms
57202-52-5SBB059202DTXSID60398218RefChem:379990DTXCID503490772-(4-(Decyloxy)phenyl)-5-octylpyrimidine2-(4-decoxyphenyl)-5-octylpyrimidine2-[4-(decyloxy)phenyl]-5-octylpyrimidine4-decyloxy-1-(5-octylpyrimidin-2-yl)benzeneChemDiv1_019290SCHEMBL6753041HMS641M18
Show more names
PYP 80102-(4-DECYLOXYPHENYL)-5-OCTYLPYRIMIDINEPyrimidine, 2-[4-(decyloxy)phenyl]-5-octyl-2-[4-(N-DECYLOXY)-PHENYL]-5-N-OCTYL-PYRIMIDINE: 99.5%
MFCD00799385AKOS001569417SB604962-(4-decyloxyphenyl)-5-octyl pyrimidineDA-210292-(4-n-Decyloxyphenyl)-5-n-octylpyrimidineST510443062-[4-(n-Decyloxy)-phenyl]-5-n-octyl-pyrimidine
Database identifiers
- CAS
57202-52-5- PubChem CID
- 3955722
- DTXSID
DTXSID60398218- Nikkaji
- J1.196.887B
Properties
Computed structural properties
- XLogP
- 10.4
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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