Basic information
- Standard SMILES
CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C3CC(c4ccccc4)=NO3)n2)cc1- InChIKey
GPBDAISQSIENJA-UHFFFAOYSA-N- Molecular formula
- C22H22N4O3S
- Average molar mass
- 422.5 g/mol
Names & identifiers
- Preferred name
- 5-(4-(Isopropylsulfonyl)phenyl)-3-(3-phenyl-4,5-dihydroisoxazol-5-yl)pyrazin-2-amine
- IUPAC
- 3-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
Names & synonyms
CHEMBL2409216SCHEMBL14917216GPBDAISQSIENJA-UHFFFAOYSA-NBDBM50437436US8841450, I-15-(4-(isopropylsulfonyl)phenyl)-3-(3-phenyl-4,5-dihydroisoxazol-5-yl)pyrazin-2-amine
Database identifiers
- PubChem CID
- 71521995
- ChEMBL
CHEMBL2409216
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 706
Related reactions
1 records
Compound notes
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