Basic information
- Standard SMILES
CC(C)(O)c1ccc(-c2cc(C(N)=O)c(Nc3ccc(C(C)(C)O)nn3)s2)c(F)c1- InChIKey
WHXUJXDWJPZVEM-UHFFFAOYSA-N- Molecular formula
- C21H23FN4O3S
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.14748994
Names & identifiers
- Preferred name
- 5-[2-Fluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-{[6-(1-hydroxy-1-methylethyl)pyridazin-3-yl]amino}thiophene-3-carboxamide
- IUPAC
- 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-hydroxypropan-2-yl)pyridazin-3-yl]amino]thiophene-3-carboxamide
Names & synonyms
SCHEMBL3509757WHXUJXDWJPZVEM-UHFFFAOYSA-N5-[2-Fluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-{[6-(1-hydroxy-1-methylethyl)pyridazin-3-yl]amino}thiophene-3-carboxamide
Database identifiers
- PubChem CID
- 59525859
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 623
Related reactions
2 records
Compound notes
Loading…