Basic information
- Standard SMILES
Cc1cc(-c2ccc(S(=O)(=O)[C@@H]3C[C@H](OC(C)C)[C@@H](C(=O)NC4(C#N)CC4)C3)c(C(F)(F)F)c2)ccn1- InChIKey
ZEYQIXPVJCYNFP-ONTIZHBOSA-N- Molecular formula
- C26H28F3N3O4S
- Average molar mass
- 535.6 g/mol
- Monoisotopic mass
- 535.17526204
Names & identifiers
- Preferred name
- (1S,2S,4S)-2-Isopropoxy-4-[4-(2-methyl-pyridin-4-yl)-2-trifluoromethyl-benzenesulfonyl]-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amide
- IUPAC
- (1S,2S,4S)-N-(1-cyanocyclopropyl)-4-[4-(2-methyl-4-pyridinyl)-2-(trifluoromethyl)phenyl]sulfonyl-2-propan-2-yloxycyclopentane-1-carboxamide
Names & synonyms
(1S,2S,4S)-2-Isopropoxy-4-[4-(2-methyl-pyridin-4-yl)-2-trifluoromethyl-benzenesulfonyl]-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amideSCHEMBL1139957
Database identifiers
- PubChem CID
- 59619470
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 999
Related reactions
1 records
Compound notes
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