Basic information
- CAS
1378654-93-3- Standard SMILES
COc1ccc(CN(C)c2ccc(C(=O)O)s2)cc1- InChIKey
GJAPSSOITHHJNE-UHFFFAOYSA-N- Molecular formula
- C14H15NO3S
- Average molar mass
- 277.34 g/mol
- Monoisotopic mass
- 277.07726451
Names & identifiers
- Preferred name
- 2-Thiophenecarboxylic acid, 5-[[(4-methoxyphenyl)methyl]methylamino]-
- IUPAC
- 5-[(4-methoxyphenyl)methyl-methylamino]thiophene-2-carboxylic acid
Names & synonyms
DTXSID801156915AKOS0136888812-Thiophenecarboxylic acid, 5-[[(4-methoxyphenyl)methyl]methylamino]-5-{[(4-Methoxyphenyl)methyl](methyl)amino}thiophene-2-carboxylic acid1378654-93-3
Database identifiers
- CAS
1378654-93-3- PubChem CID
- 64366272
- DTXSID
DTXSID801156915
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 78 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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