Basic information
- Standard SMILES
N#Cc1c(N2CCOCC2)sc(C(=O)O)c1Cc1ccc(Cl)c(F)c1- InChIKey
AMYBVBKVFPCZLM-UHFFFAOYSA-N- Molecular formula
- C17H14ClFN2O3S
- Average molar mass
- 380.8 g/mol
Names & identifiers
- Preferred name
- 3-(4-Chloro-3-fluorobenzyl)-4-cyano-5-morpholin-4-ylthiophene-2-carboxylic acid
- IUPAC
- 3-[(4-chloro-3-fluorophenyl)methyl]-4-cyano-5-morpholin-4-ylthiophene-2-carboxylic acid
Names & synonyms
SCHEMBL622915AMYBVBKVFPCZLM-UHFFFAOYSA-N3-(4-chloro-3-fluorobenzyl)-4-cyano-5-morpholin-4-ylthiophene-2-carboxylic acid
Database identifiers
- PubChem CID
- 66747653
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 539
Related reactions
2 records
Compound notes
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