Basic information
- Standard SMILES
Oc1ccc(OCC(O)CNC2CCN(c3ncnc4ccsc34)CC2)cc1- InChIKey
MJAPJSPPUBJLHZ-UHFFFAOYSA-N- Molecular formula
- C20H24N4O3S
- Average molar mass
- 400.5 g/mol
- Monoisotopic mass
- 400.15691181
Names & identifiers
- Preferred name
- 4-(2-Hydroxy-3-(1-(thieno[3,2-d]pyrimidin-4-yl)piperidin-4-ylamino)propoxy)phenol
- IUPAC
- 4-[2-hydroxy-3-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)amino]propoxy]phenol
Names & synonyms
CHEMBL12587064-(2-hydroxy-3-(1-(thieno[3,2-d]pyrimidin-4-yl)piperidin-4-ylamino)propoxy)phenolSCHEMBL4440403MJAPJSPPUBJLHZ-UHFFFAOYSA-NBDBM50328339
Database identifiers
- PubChem CID
- 24937016
- ChEMBL
CHEMBL1258706
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 472
Related reactions
1 records
Compound notes
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