Basic information
- Standard SMILES
O=C1C(=O)N(Cc2ccc(F)nc2)c2ccc(S(=O)(=O)N3CC[C@H]3COc3ccccc3)cc21- InChIKey
UITSDZFHHJSHNP-KRWDZBQOSA-N- Molecular formula
- C24H20FN3O5S
- Average molar mass
- 481.5 g/mol
Names & identifiers
- Preferred name
- (S)-1-(6-Fluoropyridin-3-ylmethyl)-5-(2-phenoxymethylazetidine-1-sulfonyl)-1H-indole-2,3-dione
- IUPAC
- 1-[(6-fluoro-3-pyridinyl)methyl]-5-[(2S)-2-(phenoxymethyl)azetidin-1-yl]sulfonylindole-2,3-dione
Names & synonyms
CHEMBL370012SCHEMBL4152385BDBM10345UITSDZFHHJSHNP-KRWDZBQOSA-N(S)-1-(6-Fluoropyridin-3-ylmethyl)-5-(2-phenoxymethyl-azetidine1-sulfonyl)-1H-indole-2,3-dione(S)-1-(6-Fluoropyridin-3-ylmethyl)-5-(2-phenoxymethylazetidine-1-sulfonyl)-1H-indole-2,3-dione1-[(6-fluoropyridin-3-yl)methyl]-5-{[(2S)-2-(phenoxymethyl)azetidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione
Database identifiers
- PubChem CID
- 11619968
- ChEMBL
CHEMBL370012
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 874
Related reactions
1 records
Compound notes
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