Basic information
- Standard SMILES
Cl.NC1=N[C@@]2(c3ccccc3)CN(c3ncc(F)cn3)C[C@H]2CS1- InChIKey
OUUYOATXWGWJFR-CVHDTDHSSA-N- Molecular formula
- C16H17ClFN5S
- Average molar mass
- 365.9 g/mol
Names & identifiers
- Preferred name
- (4aR,7aS)-6-(5-Fluoropyrimidin-2-yl)-7a-phenyl-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-2-amine hydrochloride
- IUPAC
- (4aR,7aS)-6-(5-fluoropyrimidin-2-yl)-7a-phenyl-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-2-amine;hydrochloride
Names & synonyms
US8772282, 203SCHEMBL15322182OUUYOATXWGWJFR-CVHDTDHSSA-N(4aR,7aS)-6-(5-Fluoropyrimidin-2-yl)-7a-phenyl-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-2-amine hydrochloride
Database identifiers
- PubChem CID
- 78318758
Properties
Computed structural properties
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 461
Related reactions
6 records
Compound notes
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