Basic information
- Standard SMILES
CCCOc1c(OCCCc2cccnc2)cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CC(C)=O- InChIKey
FFDXWZILHQMSNR-KAYWLYCHSA-N- Molecular formula
- C33H41NO9S
- Average molar mass
- 627.7 g/mol
Names & identifiers
- Preferred name
- trans-2-[3-(2-Oxopropylsulfonyl)-4-n-propoxy-5-{3-(3-pyridyl)propoxy}phenyl]-5-(3,4,5-trimethoxyphenyl)tetrahydrofuran
- IUPAC
- 1-[2-propoxy-3-(3-pyridin-3-ylpropoxy)-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenyl]sulfonylpropan-2-one
Names & synonyms
SCHEMBL9689874FFDXWZILHQMSNR-KAYWLYCHSA-Ntrans-2-[3-(2-Oxopropylsulfonyl)-4-n-propoxy-5-{3-(3-pyridyl)propoxy}phenyl]-5-(3,4,5-trimethoxyphenyl)tetrahydrofurantrans-2-{3-(2-Oxopropylsulfonyl)-4-n-propoxy-5-[3-(3-pyridyl)propoxy}phenyl]-5-(3,4,5-trimethoxyphenyl) tetrahydrofuran
Database identifiers
- PubChem CID
- 67906642
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 16
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 961
Related reactions
2 records
Compound notes
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