Basic information
- Standard SMILES
C[C@@H]1CCCN1C[C@@H]1CCCN1C(=O)c1ccc(-c2ncc(C(=O)N3CCCC3)s2)cc1F- InChIKey
JOTCDEALLYISKG-MJGOQNOKSA-N- Molecular formula
- C25H31FN4O2S
- Average molar mass
- 470.6 g/mol
Names & identifiers
- Preferred name
- {2-Fluoro-4-[5-(pyrrolidine-1-carbonyl)-thiazol-2-yl]-phenyl}-[2-(S)-(2-(R)-methyl pyrrolidin-1-ylmethyl)-pyrrolidin-1-yl]-methanone
- IUPAC
- [2-fluoro-4-[5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]-[(2S)-2-[[(2R)-2-methylpyrrolidin-1-yl]methyl]pyrrolidin-1-yl]methanone
Names & synonyms
SCHEMBL3197947JOTCDEALLYISKG-MJGOQNOKSA-N{2-Fluoro-4-[5-(pyrrolidine-1-carbonyl)-thiazol-2-yl]-phenyl}-[2-(S)-(2-(R)-methyl pyrrolidin-1-ylmethyl)-pyrrolidin-1-yl]-methanone
Database identifiers
- PubChem CID
- 59264679
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 721
Related reactions
1 records
Compound notes
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