Basic information
- Standard SMILES
CC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(Cn4cc(C(=O)[O-])nn4)n3)s2)c(F)c1- InChIKey
RKCJMBSWJDNYRP-UHFFFAOYSA-M- Molecular formula
- C23H19F2N6O4S-
- Average molar mass
- 513.5 g/mol
Names & identifiers
- Preferred name
- 1-[[6-[[3-Carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-2-pyridinyl]methyl]triazole-4-carboxylate
- IUPAC
- 1-[[6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-2-pyridinyl]methyl]triazole-4-carboxylate
Database identifiers
- PubChem CID
- 59525779
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 187 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- -1
- Complexity
- 795
Related reactions
1 records
Compound notes
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