Basic information
- Standard SMILES
CC1=C(C#N)[C@@H](c2ccc(C#N)cc2)n2nc(NC(=O)C3CCOC3)nc2N1c1cccc(C(F)(F)F)c1- InChIKey
KAGKRYLUZKXVHX-LMNIDFBRSA-N- Molecular formula
- C26H20F3N7O2
- Average molar mass
- 519.5 g/mol
Names & identifiers
- Preferred name
- N-{(7R)-6-Cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}tetrahydrofuran-3-carboxamide
- IUPAC
- N-[(7R)-6-cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]oxolane-3-carboxamide
Names & synonyms
N-{(7R)-6-Cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}tetrahydrofuran-3-carboxamideSCHEMBL233114
Database identifiers
- PubChem CID
- 46841345
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
2 records
Linked notes
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