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Basic information
- Standard SMILES
c1ccc(Oc2cc(Sc3ccnc4ccsc34)cnc2Nc2nc(CC3CCNCC3)cs2)cc1- InChIKey
LSOPRPPJIQOINK-UHFFFAOYSA-N- Molecular formula
- C27H25N5OS3
- Average molar mass
- 531.7 g/mol
- Monoisotopic mass
- 531.12212396
Names & identifiers
- Preferred name
- N-(3-phenoxy-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl)-4-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine
- IUPAC
- N-(3-phenoxy-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl)-4-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine
Names & synonyms
SCHEMBL1329960
Database identifiers
- PubChem CID
- 57742599
Properties
Computed structural propertiesFilling in
- XLogP
- 6.3
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 680
Related reactions
1 records
Compound notes
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