Basic information
- Standard SMILES
CC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(CO[C@@H]4CCC[C@H]4O)n3)s2)c(F)c1- InChIKey
UKXQTVMVVAWBFQ-RTBURBONSA-N- Molecular formula
- C25H27F2N3O4S
- Average molar mass
- 503.6 g/mol
Names & identifiers
- Preferred name
- 5-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-{[6-({[(1R,2R)-2-hydroxycyclopentyl]oxy}methyl)pyridin-2-yl]amino}thiophene-3-carboxamide
- IUPAC
- 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[(1R,2R)-2-hydroxycyclopentyl]oxymethyl]-2-pyridinyl]amino]thiophene-3-carboxamide
Names & synonyms
SCHEMBL3508563UKXQTVMVVAWBFQ-RTBURBONSA-N5-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-{[6-({[(1R,2R)-2-hydroxycyclopentyl]oxy}methyl)pyridin-2-yl]amino}thiophene-3-carboxamide
Database identifiers
- PubChem CID
- 59525564
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 723
Related reactions
1 records
Compound notes
Loading…