Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCNc1csc(C(=O)OC)c1- InChIKey
ABDGHOHDRSKMLE-UHFFFAOYSA-N- Molecular formula
- C22H39NO2S
- Average molar mass
- 381.6 g/mol
Names & identifiers
- Preferred name
- Methyl 4-(hexadecylamino)-2-thiophenecarboxylate
- IUPAC
- methyl 4-(hexadecylamino)thiophene-2-carboxylate
Names & synonyms
SCHEMBL11184594ABDGHOHDRSKMLE-UHFFFAOYSA-Nmethyl 4-(hexadecylamino)-2-thiophenecarboxylate
Database identifiers
- PubChem CID
- 20503593
Properties
Computed structural properties
- XLogP
- 9.5
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 18
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 338
Related reactions
2 records
Compound notes
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