Vapendavir bisulfate
Basic information
- CAS
1198151-76-6- Standard SMILES
CCOc1noc2cc(OCCC3CCN(c4ccc(C)nn4)CC3)ccc12.O=S(=O)(O)O- InChIKey
UNMFRGBDTAVRCY-UHFFFAOYSA-N- Molecular formula
- C21H28N4O7S
- Average molar mass
- 480.5 g/mol
- Monoisotopic mass
- 480.16787042
Names & identifiers
- Preferred name
- Vapendavir bisulfate
- IUPAC
- 3-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,2-benzoxazole;sulfuric acid
Names & synonyms
Vapendavir bisulfateA2CN8WQH5RSCHEMBL14199611,2-Benzisoxazole, 3-ethoxy-6-[2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]ethoxy]-, sulfate (1:1)1198151-76-63-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,2-benzoxazole;sulfuric acid
Database identifiers
- CAS
1198151-76-6- PubChem CID
- 44514219
- UNII
- A2CN8WQH5R
Properties
Computed structural properties
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 556
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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