Basic information
- Standard SMILES
CN1CCC(COC(=O)C(O)(c2cccs2)c2cccs2)CC1- InChIKey
VFNAWDVMJOJURE-UHFFFAOYSA-N- Molecular formula
- C17H21NO3S2
- Average molar mass
- 351.5 g/mol
- Monoisotopic mass
- 351.09628588
Names & identifiers
- Preferred name
- Hydroxy-di-thiophen-2-yl-acetic acid 1-methyl-piperidin-4-ylmethyl ester
- IUPAC
- (1-methylpiperidin-4-yl)methyl 2-hydroxy-2,2-dithiophen-2-ylacetate
Names & synonyms
SCHEMBL1880295VFNAWDVMJOJURE-UHFFFAOYSA-NHydroxy-di-thiophen-2-yl-acetic acid 1-methyl-piperidin-4-ylmethyl esterHydroxy-di-thiophen-2-yl-acetic acid 1-methyl-piperidin4-ylmethyl ester
Database identifiers
- PubChem CID
- 67198340
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 397
Related reactions
2 records
Compound notes
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