Basic information
- Standard SMILES
O=C(O)Cc1cn(Cc2ccc(OCc3csc(-c4ccccc4)n3)nc2)nc1-c1ccccc1- InChIKey
OJNFULDTOGMUOE-UHFFFAOYSA-N- Molecular formula
- C27H22N4O3S
- Average molar mass
- 482.6 g/mol
Names & identifiers
- Preferred name
- [3-phenyl-1-[6-(2-phenyl-4-thiazolylmethoxy)-3-pyridylmethyl]-1H-pyrazol-4-yl]acetic acid
- IUPAC
- 2-[3-phenyl-1-[[6-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-3-pyridinyl]methyl]pyrazol-4-yl]acetic acid
Names & synonyms
SCHEMBL5381674OJNFULDTOGMUOE-UHFFFAOYSA-N[3-phenyl-1-[6-(2-phenyl-4-thiazolylmethoxy)-3-pyridylmethyl]-1H-pyrazol-4-yl]acetic acid
Database identifiers
- PubChem CID
- 69422951
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 673
Related reactions
2 records
Compound notes
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