Basic information
- Standard SMILES
CNC(=O)Cc1ccc(Oc2ccnc3cc(C(=O)N4CC[C@@H](O)C4)sc23)cc1Cl- InChIKey
IFNVUISJNQXMRC-CYBMUJFWSA-N- Molecular formula
- C21H20ClN3O4S
- Average molar mass
- 445.9 g/mol
- Monoisotopic mass
- 445.086305
Names & identifiers
- Preferred name
- 2-{2-Chloro-4-[2-((R)-3-hydroxy-pyrrolidine-1-carbonyl)-thieno[3,2-b]pyridin-7-yloxy]-phenyl}-N-methyl-acetamide
- IUPAC
- 2-[2-chloro-4-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methylacetamide
Names & synonyms
SCHEMBL4709862IFNVUISJNQXMRC-CYBMUJFWSA-N2-{2-Chloro-4-[2-((R)-3-hydroxy-pyrrolidine-1-carbonyl)-thieno[3,2-b]pyridin-7-yloxy]-phenyl}-N-methyl-acetamide
Database identifiers
- PubChem CID
- 58847460
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 641
Related reactions
1 records
Compound notes
Loading…