Basic information
- Standard SMILES
COC(=O)c1ccc(Sc2cc(Br)cnc2Nc2nc3cccnc3s2)cc1- InChIKey
OTXBZTYDTYKTJH-UHFFFAOYSA-N- Molecular formula
- C19H13BrN4O2S2
- Average molar mass
- 473.4 g/mol
Names & identifiers
- Preferred name
- Methyl 4-[[5-bromo-2-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-3-pyridinyl]sulfanyl]benzoate
- IUPAC
- methyl 4-[[5-bromo-2-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-3-pyridinyl]sulfanyl]benzoate
Names & synonyms
SCHEMBL1331094
Database identifiers
- PubChem CID
- 57742596
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 538
Related reactions
1 records
Compound notes
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