Basic information
- Standard SMILES
O=c1[nH]c2cc([N+](=O)[O-])c(S(=O)(=O)c3cccc4cnccc34)cc2o1- InChIKey
AZYVBEZWQSDONG-UHFFFAOYSA-N- Molecular formula
- C16H9N3O6S
- Average molar mass
- 371.3 g/mol
Names & identifiers
- Preferred name
- 6-(5-Isoquinolylsulfonyl)-5-nitro-2,3-dihydro-benzo[d][1,3]oxazol-2-one
- IUPAC
- 6-isoquinolin-5-ylsulfonyl-5-nitro-3H-1,3-benzoxazol-2-one
Names & synonyms
SCHEMBL6968882AZYVBEZWQSDONG-UHFFFAOYSA-N6-(5-isoquinolylsulfonyl)-5-nitro-2,3-dihydro-benzo[d][1,3]oxazol-2-one
Database identifiers
- PubChem CID
- 21846944
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 687
Related reactions
2 records
Compound notes
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