Basic information
- Standard SMILES
C[C@H]1OC[C@]2(c3cc(-c4cnc(-c5cnccn5)[nH]4)ccc3F)N=C(N)SC[C@H]12- InChIKey
JVDCRUYGGKMIIX-QRVQBPJGSA-N- Molecular formula
- C20H19FN6OS
- Average molar mass
- 410.5 g/mol
Names & identifiers
- Preferred name
- (4aS,5R,7aS)-7a-(2-Fluoro-5-(2-(pyrazin-2-yl)-1H-imidazol-5-yl)phenyl)-5-methyl-4a,5,7,7a-tetrahydro-4H-furo[3,4-d][1,3]thiazin-2-amine
- IUPAC
- (4aS,5R,7aS)-7a-[2-fluoro-5-(2-pyrazin-2-yl-1H-imidazol-5-yl)phenyl]-5-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine
Names & synonyms
SCHEMBL12500941JVDCRUYGGKMIIX-QRVQBPJGSA-N(4aS,5R,7aS)-7a-(2-Fluoro-5-(2-(pyrazin-2-yl)-1H-imidazol-5-yl)phenyl)-5-methyl-4a,5,7,7a-tetrahydro-4H-furo[3,4-d][1,3]thiazin-2-amine
Database identifiers
- PubChem CID
- 57415243
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 640
Related reactions
1 records
Compound notes
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