Basic information
- Standard SMILES
COc1ccc(S(=O)(=O)N2C(=O)C(O)(c3cc(C)ccc3OC)c3cc(Cl)cnc32)c(OC)c1- InChIKey
KEDPEBOUQDTJGC-UHFFFAOYSA-N- Molecular formula
- C23H21ClN2O7S
- Average molar mass
- 504.9 g/mol
- Monoisotopic mass
- 504.0757999
Names & identifiers
- Preferred name
- 5-chloro-1-[(2,4-dimethoxyphenyl)sulfonyl]-3-hydroxy-3-(2-methoxy-5-methylphenyl)-1,3-dihy dro-2H-pyrrolo[2,3-b]pyridin-2-one
- IUPAC
- 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-hydroxy-3-(2-methoxy-5-methylphenyl)pyrrolo[2,3-b]pyridin-2-one
Names & synonyms
SCHEMBL2493194KEDPEBOUQDTJGC-UHFFFAOYSA-N5-chloro-1-[(2,4-dimethoxyphenyl)sulfonyl]-3-hydroxy-3-(2-methoxy-5-methylphenyl)-1,3-dihy dro-2H-pyrrolo[2,3-b]pyridin-2-one
Database identifiers
- PubChem CID
- 67427973
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 855
Related reactions
2 records
Compound notes
Loading…