Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)n2cc(I)c3cc(-c4cccc(C(=O)N5CCOCC5)c4)cnc32)cc1- InChIKey
RMOKWBXRJZVVSA-UHFFFAOYSA-N- Molecular formula
- C25H22IN3O4S
- Average molar mass
- 587.4 g/mol
Names & identifiers
- Preferred name
- (3-(3-iodo-1-tosyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl)(morpholino)methanone
- IUPAC
- [3-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
Names & synonyms
(3-(3-iodo-1-tosyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl)(morpholino)methanone(3-[3-iodo-1-tosyl-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl)(morpholino)methanoneSCHEMBL1516617RMOKWBXRJZVVSA-UHFFFAOYSA-NDB-372436(3-(3-iodo-1-tosyl-1H-pyrrolo [2,3-b]pyridin-5-yl)phenyl)(morpholino)methanone[3-[3-Iodo-1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-4-morpholinylmethanone875639-35-3
Database identifiers
- PubChem CID
- 59699851
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 823
Related reactions
21 records
Compound notes
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