Basic information
- Standard SMILES
Fc1ccc(-c2c(Cl)sc3ncnc(NC4CCN(Cc5cc(F)cc(F)c5)CC4)c23)cc1- InChIKey
ISMSFHINKJRNFM-UHFFFAOYSA-N- Molecular formula
- C24H20ClF3N4S
- Average molar mass
- 489 g/mol
Names & identifiers
- Preferred name
- N-(1-(3,5-Difluorobenzyl)piperidin-4-yl)-6-chloro-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
- IUPAC
- 6-chloro-N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
Names & synonyms
SCHEMBL1605065ISMSFHINKJRNFM-UHFFFAOYSA-NN-(1-(3,5-Difluorobenzyl)piperidin-4-yl)-6-chloro-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
Database identifiers
- PubChem CID
- 11670347
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 625
Related reactions
2 records
Compound notes
Loading…