Basic information
- Standard SMILES
Cl.Cl.O=C(Cc1ccccc1)NC(=S)Nc1ccc(Oc2ccnc3cc(-c4ccc(N5CCNCC5)cc4)sc23)c(F)c1- InChIKey
FUEGXJQSKGWFNY-UHFFFAOYSA-N- Molecular formula
- C32H30Cl2FN5O2S2
- Average molar mass
- 670.6 g/mol
Names & identifiers
- Preferred name
- N-(3-Fluoro-4-(2-(4-(piperazin-1-yl)phenyl)thieno[3,2-b]pyridin-7-yloxy)phenylcarbamothioyl)-2-phenylacetamide di-hydrochloride
- IUPAC
- N-[[3-fluoro-4-[2-(4-piperazin-1-ylphenyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl]-2-phenylacetamide;dihydrochloride
Names & synonyms
SCHEMBL3569546FUEGXJQSKGWFNY-UHFFFAOYSA-NN-(3-Fluoro-4-(2-(4-(piperazin-1-yl)phenyl)thieno[3,2-b]pyridin-7-yloxy)phenylcarbamothioyl)-2-phenylacetamide di-hydrochloride
Database identifiers
- PubChem CID
- 86604176
Properties
Computed structural properties
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 896
Related reactions
5 records
Compound notes
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