Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCNc1csc(C(=O)OCC)c1- InChIKey
QGMLUGLZAKVCNS-UHFFFAOYSA-N- Molecular formula
- C23H41NO2S
- Average molar mass
- 395.6 g/mol
- Monoisotopic mass
- 395.28580072
Names & identifiers
- Preferred name
- Ethyl 4-(hexadecylamino)-2-thiophenecarboxylate
- IUPAC
- ethyl 4-(hexadecylamino)thiophene-2-carboxylate
Names & synonyms
CHEMBL32065SCHEMBL11183836QGMLUGLZAKVCNS-UHFFFAOYSA-Nethyl 4-(hexadecylamino)-2-thiophenecarboxylate
Database identifiers
- PubChem CID
- 20503567
- ChEMBL
CHEMBL32065
Properties
Computed structural properties
- XLogP
- 9.9
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 19
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 351
Related reactions
2 records
Compound notes
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