Basic information
- Standard SMILES
COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3cc(F)c(NC(=O)OC(C)C)c(C(=O)N(C)C)c3)cc12- InChIKey
HFSZBRROGHNDJZ-UHFFFAOYSA-N- Molecular formula
- C34H33FN4O6S
- Average molar mass
- 644.7 g/mol
- Monoisotopic mass
- 644.21048412
Names & identifiers
- Preferred name
- {2-dimethylcarbamoyl-6-fluoro-4-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-phenyl}-carbamic Acid Isopropyl Ester
- IUPAC
- propan-2-yl N-[2-(dimethylcarbamoyl)-6-fluoro-4-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]carbamate
Names & synonyms
SCHEMBL3562857HFSZBRROGHNDJZ-UHFFFAOYSA-N{2-dimethylcarbamoyl-6-fluoro-4-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-phenyl}-carbamic Acid Isopropyl Ester
Database identifiers
- PubChem CID
- 57731657
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,160
Related reactions
2 records
Compound notes
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