Basic information
- Standard SMILES
CN1CCN(c2ccc(S(=O)(=O)[C@@H]3C[C@@H](C(=O)NC4(C#N)CC4)[C@H](C(=O)N4CC(F)(F)C4)C3)c(Cl)c2)CC1- InChIKey
MPPYLFCWVFGPQK-GUDVDZBRSA-N- Molecular formula
- C25H30ClF2N5O4S
- Average molar mass
- 570.1 g/mol
Names & identifiers
- Preferred name
- (1R,2R,4R)-4-[2-Chloro-4-(4-methyl-piperazin-1-yl)-benzenesulfonyl]-2-(3,3-difluoro-azetidine-1-carbonyl)-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amide
- IUPAC
- (1R,2R,4R)-4-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]sulfonyl-N-(1-cyanocyclopropyl)-2-(3,3-difluoroazetidine-1-carbonyl)cyclopentane-1-carboxamide
Names & synonyms
(1R,2R,4R)-4-[2-Chloro-4-(4-methyl-piperazin-1-yl)-benzenesulfonyl]-2-(3,3-difluoro-azetidine-1-carbonyl)-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amideSCHEMBL1139278
Database identifiers
- PubChem CID
- 66918481
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
1 records
Compound notes
Loading…