Basic information
- Standard SMILES
CCc1cnc(N2CCC(C3Cc4cc(-c5ccc(S(C)(=O)=O)cc5)ccc4O3)CC2)nc1- InChIKey
HJNFPSAWXCUARY-UHFFFAOYSA-N- Molecular formula
- C26H29N3O3S
- Average molar mass
- 463.6 g/mol
Names & identifiers
- Preferred name
- 5-Ethyl-2-{4-[5-(4-methanesulfonyl-phenyl)-2,3-dihydro-benzofuran-2-yl]-piperidin-1-yl}-pyrimidine
- IUPAC
- 5-ethyl-2-[4-[5-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]piperidin-1-yl]pyrimidine
Names & synonyms
SCHEMBL14575508HJNFPSAWXCUARY-UHFFFAOYSA-N5-Ethyl-2-{4-[5-(4-methanesulfonyl-phenyl)-2,3-dihydro-benzofuran-2-yl]-piperidin-1-yl}-pyrimidine
Database identifiers
- PubChem CID
- 71208367
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 732
Related reactions
1 records
Compound notes
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