2-Amino-2-(5-octylbenzo[b]thiophen-2-yl)propane-1,3-diol
Basic information
- Standard SMILES
CCCCCCCCc1ccc2sc(C(N)(CO)CO)cc2c1- InChIKey
WYLZXYLPUDZNCV-UHFFFAOYSA-N- Molecular formula
- C19H29NO2S
- Average molar mass
- 335.5 g/mol
Names & identifiers
- Preferred name
- 2-Amino-2-(5-octylbenzo[b]thiophen-2-yl)propane-1,3-diol
- IUPAC
- 2-amino-2-(5-octyl-1-benzothiophen-2-yl)propane-1,3-diol
Names & synonyms
SCHEMBL177148WYLZXYLPUDZNCV-UHFFFAOYSA-N2-Amino-2-(5-octylbenzo[b]thiophen-2-yl)propane-1,3-diol
Database identifiers
- PubChem CID
- 46200151
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 94.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 335
Related reactions
2 records
Compound notes
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