Basic information
- Standard SMILES
O=C(O)c1cc(-c2ccco2)n(Cc2cc(-c3ccc(Cl)s3)on2)n1- InChIKey
RRACFGKIZHEVEL-UHFFFAOYSA-N- Molecular formula
- C16H10ClN3O4S
- Average molar mass
- 375.8 g/mol
Names & identifiers
- Preferred name
- 1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-5-furan-2-yl-1H-pyrazole-3-carboxylic acid
- IUPAC
- 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-(furan-2-yl)pyrazole-3-carboxylic acid
Names & synonyms
SCHEMBL1456629RRACFGKIZHEVEL-UHFFFAOYSA-N1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-5-furan-2-yl-1H -pyrazole-3-carboxylic acid1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-5-furan-2-yl-1H-pyrazole-3-carboxylic acid
Database identifiers
- PubChem CID
- 23033481
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 502
Related reactions
6 records
Linked notes
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