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Basic information
- Standard SMILES
CCCc1cnc(N2CCC(C3Cc4cc(C5=CCN(S(=O)(=O)CCC)CC5)cc(F)c4O3)CC2)nc1- InChIKey
MRVUVKYVTCMVPN-UHFFFAOYSA-N- Molecular formula
- C28H37FN4O3S
- Average molar mass
- 528.7 g/mol
Names & identifiers
- Preferred name
- 2-[4-[7-fluoro-5-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]piperidin-1-yl]-5-propylpyrimidine
- IUPAC
- 2-[4-[7-fluoro-5-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]piperidin-1-yl]-5-propylpyrimidine
Names & synonyms
CHEMBL3261135SCHEMBL2589587MRVUVKYVTCMVPN-UHFFFAOYSA-NBDBM50014383(+/-)-2-(4-(7-Fluoro-5-(1-(propylsulfonyl)-1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydrobenzofuran-2-yl)piperidin-1-yl)-5-propylpyrimidine
Database identifiers
- PubChem CID
- 54589151
- ChEMBL
CHEMBL3261135
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 880
Related reactions
1 records
Compound notes
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