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Basic information
- Standard SMILES
COc1cc2c(-c3cc4cccnc4[nH]3)cn(CC(=O)N3CCSC3)c2cc1OC- InChIKey
RSDBFPVXJKSOHD-UHFFFAOYSA-N- Molecular formula
- C22H22N4O3S
- Average molar mass
- 422.5 g/mol
- Monoisotopic mass
- 422.14126175
Names & identifiers
- Preferred name
- 2-[5,6-dimethoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-1-thiazolidin-3-ylethanone
- IUPAC
- 2-[5,6-dimethoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-1-(1,3-thiazolidin-3-yl)ethanone
Names & synonyms
SCHEMBL1748622RSDBFPVXJKSOHD-UHFFFAOYSA-N2-[5,6-dimethoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-1-thiazolidin-3-ylethanone
Database identifiers
- PubChem CID
- 11611545
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 97.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 625
Related reactions
3 records
Compound notes
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