Basic information
- Standard SMILES
C[C@H]1OC[C@]2(c3cc(-c4cc(F)ccc4F)ccc3F)N=C(N)SC[C@H]12- InChIKey
MZXIMHGPQDMMCO-CYKIYJRWSA-N- Molecular formula
- C19H17F3N2OS
- Average molar mass
- 378.4 g/mol
- Monoisotopic mass
- 378.10136883
Names & identifiers
- Preferred name
- (4aS,5R,7aS)-5-Methyl-7a-(2',4,5'-trifluoro-[1,1'-biphenyl]-3-yl)-4a,5,7,7a-tetrahydro-4H-furo[3,4-d][1,3]thiazin-2-amine
- IUPAC
- (4aS,5R,7aS)-7a-[5-(2,5-difluorophenyl)-2-fluorophenyl]-5-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine
Names & synonyms
SCHEMBL12500616MZXIMHGPQDMMCO-CYKIYJRWSA-N(4aS,5R,7aS)-5-Methyl-7a-(2',4,5'-trifluoro-[1,1'-biphenyl]-3-yl)-4a,5,7,7a-tetrahydro-4H-furo[3,4-d][1,3]thiazin-2-amine
Database identifiers
- PubChem CID
- 57415376
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 565
Related reactions
1 records
Compound notes
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