Basic information
- Standard SMILES
COc1cc(CN2CCN(CCN3CCC(c4ccc(F)cc4)(c4ccc(F)cc4)C3=O)CC2)cc(OC)c1- InChIKey
HIMQRFVAQDISAY-UHFFFAOYSA-N- Molecular formula
- C31H35F2N3O3
- Average molar mass
- 535.6 g/mol
Names & identifiers
- Preferred name
- 1-{2-[4-(3,5-Dimethoxybenzyl)piperazin-1-yl]ethyl}-3,3-bis(4-fluorophenyl)pyrrolidin-2-one
- IUPAC
- 1-[2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethyl]-3,3-bis(4-fluorophenyl)pyrrolidin-2-one
Names & synonyms
SCHEMBL2308472HIMQRFVAQDISAY-UHFFFAOYSA-N1-{2-[4-(3,5-dimethoxybenzyl)piperazin-1-yl]ethyl}-3,3-bis(4-fluorophenyl)pyrrolidin-2-one
Database identifiers
- PubChem CID
- 56961908
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 745
Related reactions
2 records
Compound notes
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