Basic information
- Standard SMILES
O=C(C1CCc2c(sc3ncnc(Nc4cccc(Br)c4)c23)C1)N1CCCCC1- InChIKey
YWBPSHYOYFLILT-UHFFFAOYSA-N- Molecular formula
- C22H23BrN4OS
- Average molar mass
- 471.4 g/mol
Names & identifiers
- Preferred name
- N-(3-bromophenyl)-7-(1-piperidinylcarbonyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
- IUPAC
- [4-(3-bromoanilino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl]-piperidin-1-ylmethanone
Names & synonyms
SCHEMBL5629131YWBPSHYOYFLILT-UHFFFAOYSA-NN-(3-bromophenyl)-7-(1-piperidinylcarbonyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
Database identifiers
- PubChem CID
- 58774553
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 589
Related reactions
4 records
Compound notes
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