Basic information
- Standard SMILES
CCOC(=O)CCc1ccc(-c2cc3c(C(=O)NC)c(-c4ccc(F)cc4)oc3cc2N(C)S(C)(=O)=O)nc1-c1cc2c(F)cccc2[nH]1- InChIKey
KKAXLBOLYCMESR-UHFFFAOYSA-N- Molecular formula
- C36H32F2N4O6S
- Average molar mass
- 686.7 g/mol
Names & identifiers
- Preferred name
- ethyl 3-(2-(4-fluoro-1H-indol-2-yl)-6-(2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(N-methylmethylsulfonamido)benzofuran-5-yl)pyridin-3-yl)propanoate
- IUPAC
- ethyl 3-[2-(4-fluoro-1H-indol-2-yl)-6-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-3-pyridinyl]propanoate
Names & synonyms
SCHEMBL15941926KKAXLBOLYCMESR-UHFFFAOYSA-Nethyl 3-(2-(4-fluoro-1H-indol-2-yl)-6-(2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(N-methylmethylsulfonamido)benzofuran-5-yl)pyridin-3-yl)propanoate
Database identifiers
- PubChem CID
- 90333603
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,260
Related reactions
2 records
Compound notes
Loading…