2-[5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-7-ium-3-amine
Basic information
- CAS
6742-57-0- Standard SMILES
Cc1cc(C(F)F)[nH+]c2sc(-c3nnc(-c4ccccc4Br)o3)c(N)c12- InChIKey
VJFHJQGCXKHKDB-UHFFFAOYSA-O- Molecular formula
- C17H12BrF2N4OS+
- Average molar mass
- 438.3 g/mol
- Monoisotopic mass
- 436.98833
Names & identifiers
- Preferred name
- 2-[5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-7-ium-3-amine
- IUPAC
- 2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-7-ium-3-amine
Names & synonyms
6742-57-02-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-7-ium-3-amineDTXSID804114783-Amino-2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-7-ium
Database identifiers
- CAS
6742-57-0- PubChem CID
- 5226663
- DTXSID
DTXSID80411478
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 1
- Complexity
- 507
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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