Basic information
- Standard SMILES
O=C(Cc1ccccc1)NC(=S)Nc1ccc(Oc2ccnc3cc(-c4cccc(OCCN5CCOCC5)c4)sc23)c(F)c1- InChIKey
PPIUIPMUUZXQQE-UHFFFAOYSA-N- Molecular formula
- C34H31FN4O4S2
- Average molar mass
- 642.8 g/mol
- Monoisotopic mass
- 642.17707599
Names & identifiers
- Preferred name
- N-(3-Fluoro-4-(2-(3-(2-morpholinoethoxy)phenyl)thieno[3,2-b]pyridin-7-yloxy)phenylcarbamothioyl)-2-phenylacetamide
- IUPAC
- N-[[3-fluoro-4-[2-[3-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl]-2-phenylacetamide
Names & synonyms
SCHEMBL3566009PPIUIPMUUZXQQE-UHFFFAOYSA-NN-(3-Fluoro-4-(2-(3-(2-morpholinoethoxy)phenyl)thieno[3,2-b]pyridin-7-yloxy)phenylcarbamothioyl)-2-phenylacetamide
Database identifiers
- PubChem CID
- 86604178
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 955
Related reactions
7 records
Compound notes
Loading…