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Basic information
- Standard SMILES
Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc4cc(C(=O)NCCCN5CCN(C)CC5)sc34)cc2F)c1- InChIKey
BMFHAIYLTOVZTR-UHFFFAOYSA-N- Molecular formula
- C30H32F2N6O3S
- Average molar mass
- 594.7 g/mol
- Monoisotopic mass
- 594.2224664
Names & identifiers
- Preferred name
- 7-[3-fluoro-4-({[(2-fluoro-5-methylphenyl)amino]carbonyl}amino)phenoxy]-N-[3-(4-methylpiperazin-1-yl)propyl]thieno[3,2-b]pyridine-2-carboxamide
- IUPAC
- 7-[3-fluoro-4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-N-[3-(4-methylpiperazin-1-yl)propyl]thieno[3,2-b]pyridine-2-carboxamide
Names & synonyms
CHEMBL3934764SCHEMBL16227848BMFHAIYLTOVZTR-UHFFFAOYSA-NBDBM228548US9340555, 347-[3-fluoro-4-({[(2-fluoro-5-methylphenyl)amino]carbonyl}amino)phenoxy]-N-[3-(4-methylpiperazin-1-yl)propyl]thieno[3,2-b]pyridine-2-carboxamide
Database identifiers
- PubChem CID
- 86290751
- ChEMBL
CHEMBL3934764
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 899
Related reactions
1 records
Compound notes
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