Basic information
- Standard SMILES
O=C(OCC1(c2ccccc2)CC1)c1cccc2nnsc12- InChIKey
RAOLBEXFHPUSLV-UHFFFAOYSA-N- Molecular formula
- C17H14N2O2S
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.07759887
Names & identifiers
- Preferred name
- 1-[Benzo-1,2,3-thiadiazole-7-carbonyloxymethyl]-1-phenylcyclopropane
- IUPAC
- (1-phenylcyclopropyl)methyl 1,2,3-benzothiadiazole-7-carboxylate
Names & synonyms
SCHEMBL9367187RAOLBEXFHPUSLV-UHFFFAOYSA-N1-[benzo-1,2,3-thiadiazole-7-carbonyloxymethyl]-1-phenylcyclopropane
Database identifiers
- PubChem CID
- 19088740
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 421
Related reactions
1 records
Compound notes
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