Basic information
- Standard SMILES
N#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3ccc(N4CCN(C5CC5)CC4)cc3Cl)C[C@H]2C(=O)N2CCC(F)(F)C2)CC1- InChIKey
KUTSVCMKLDFSBR-YPAWHYETSA-N- Molecular formula
- C28H34ClF2N5O4S
- Average molar mass
- 610.1 g/mol
Names & identifiers
- Preferred name
- (1R,2R,4R)-4-[2-Chloro-4-(4-cyclopropyl-piperazin-1-yl)-benzenesulfonyl]-2-(3,3-difluoro-pyrrolidine-1-carbonyl)-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amide
- IUPAC
- (1R,2R,4R)-4-[2-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]sulfonyl-N-(1-cyanocyclopropyl)-2-(3,3-difluoropyrrolidine-1-carbonyl)cyclopentane-1-carboxamide
Names & synonyms
(1R,2R,4R)-4-[2-Chloro-4-(4-cyclopropyl-piperazin-1-yl)-benzenesulfonyl]-2-(3,3-difluoro-pyrrolidine-1-carbonyl)-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amideSCHEMBL1139291
Database identifiers
- PubChem CID
- 59619454
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,210
Related reactions
1 records
Compound notes
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