[2-Fluoro-4-(4-methanesulfonyl-benzyloxy)-phenyl]-(2-(S)-pyrrolidin-1-ylmethyl-pyrrolidin-1-yl)-methanone
Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(COc2ccc(C(=O)N3CCC[C@H]3CN3CCCC3)c(F)c2)cc1- InChIKey
FLVXAKGLDHVMNU-IBGZPJMESA-N- Molecular formula
- C24H29FN2O4S
- Average molar mass
- 460.6 g/mol
- Monoisotopic mass
- 460.18320675
Names & identifiers
- Preferred name
- [2-Fluoro-4-(4-methanesulfonyl-benzyloxy)-phenyl]-(2-(S)-pyrrolidin-1-ylmethyl-pyrrolidin-1-yl)-methanone
- IUPAC
- [2-fluoro-4-[(4-methylsulfonylphenyl)methoxy]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
Names & synonyms
SCHEMBL3275508FLVXAKGLDHVMNU-IBGZPJMESA-N[2-Fluoro-4-(4-methanesulfonyl-benzyloxy)-phenyl]-(2-(S)-pyrrolidin-1-ylmethyl-pyrrolidin-1-yl)-methanone
Database identifiers
- PubChem CID
- 11619545
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 729
Related reactions
1 records
Compound notes
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