Basic information
- CAS
858117-53-0- Standard SMILES
COc1cc(O)cc(Cc2c[nH]c3ncc(-c4ccsc4)cc23)c1- InChIKey
YJGAYTGVVYFPIN-UHFFFAOYSA-N- Molecular formula
- C19H16N2O2S
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.09324893
Names & identifiers
- Preferred name
- Phenol, 3-methoxy-5-[[5-(3-thienyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-
- IUPAC
- 3-methoxy-5-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol
Names & synonyms
858117-53-0Phenol, 3-methoxy-5-[[5-(3-thienyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-SCHEMBL857827DTXSID304631693-METHOXY-5-{[5-(THIOPHEN-3-YL)-1H-PYRROLO[2,3-B]PYRIDIN-3-YL]METHYL}PHENOL
Database identifiers
- CAS
858117-53-0- PubChem CID
- 11348282
- DTXSID
DTXSID30463169
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 424
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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