Basic information
- Standard SMILES
CN(C)CC/C=C\c1cc2nccc(Oc3ccc(NC(=O)CC(=O)N(C)c4ccccc4)cc3F)c2s1- InChIKey
ZHXHONUVLFBXSC-XFFZJAGNSA-N- Molecular formula
- C29H29FN4O3S
- Average molar mass
- 532.6 g/mol
Names & identifiers
- Preferred name
- (Z)-N1-(4-(2-(4-(Dimethylamino)but-1-enyl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-N3-methyl-N3-phenylmalonamide
- IUPAC
- N-[4-[2-[(Z)-4-(dimethylamino)but-1-enyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N'-methyl-N'-phenylpropanediamide
Names & synonyms
SCHEMBL307843ZHXHONUVLFBXSC-XFFZJAGNSA-N(Z)-N1-(4-(2-(4-(Dimethylamino)but-1-enyl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-N3-methyl-N3-phenylmalonamide
Database identifiers
- PubChem CID
- 58790146
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 809
Related reactions
1 records
Compound notes
Loading…