Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCn2nc(C(F)(F)F)nc2C1C(O)C1CC1)Cc1cc(F)c(F)cc1F- InChIKey
IWKMCTJUIJLAMR-WPUWVODUSA-N- Molecular formula
- C25H29F6N5O4
- Average molar mass
- 577.5 g/mol
Names & identifiers
- Preferred name
- [7-[(3R)-3-[(tert-Butoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)butanoyl]-2-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-alpha]pyrazin-8-yl](cyclopropyl)methanol
- IUPAC
- tert-butyl N-[(2R)-4-[8-[cyclopropyl(hydroxy)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate
Names & synonyms
[7-[(3R)-3-[(tert-Butoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)butanoyl]-2-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-alpha]pyrazin-8-yl](cyclopropyl)methanolSCHEMBL5229489
Database identifiers
- PubChem CID
- 87798384
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 919
Related reactions
1 records
Compound notes
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