Basic information
- Standard SMILES
CN(C)[C@@H]1CCN(C(=O)c2cc3nccc(Oc4ccc(NC(=O)CC(=O)Nc5ccccc5)cc4F)c3s2)C1- InChIKey
DDYSIXDGDGDTAO-HXUWFJFHSA-N- Molecular formula
- C29H28FN5O4S
- Average molar mass
- 561.6 g/mol
Names & identifiers
- Preferred name
- (R)-N1-(4-(2-(3-(dimethylamino)pyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-N3-phenylmalonamide
- IUPAC
- N'-[4-[2-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N-phenylpropanediamide
Names & synonyms
CHEMBL565785(R)-N1-(4-(2-(3-(dimethylamino)pyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-N3-phenylmalonamideSCHEMBL304893DDYSIXDGDGDTAO-HXUWFJFHSA-NBDBM50303263
Database identifiers
- PubChem CID
- 45488073
- ChEMBL
CHEMBL565785
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 906
Related reactions
2 records
Compound notes
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