Basic information
- Standard SMILES
CC1(C)CC(=O)C=C(OC(=O)c2cccc3nnsc23)C1- InChIKey
SZTZBQXOFYRELQ-UHFFFAOYSA-N- Molecular formula
- C15H14N2O3S
- Average molar mass
- 302.4 g/mol
Names & identifiers
- Preferred name
- 3-(Benzo-1,2,3-thiadiazole-7-carbonyloxy)-5,5-dimethyl-cyclohex-2-enone
- IUPAC
- (5,5-dimethyl-3-oxocyclohexen-1-yl) 1,2,3-benzothiadiazole-7-carboxylate
Names & synonyms
SCHEMBL8783490SZTZBQXOFYRELQ-UHFFFAOYSA-N3-(benzo-1,2,3-thiadiazole-7-carbonyloxy)-5,5-dimethyl-cyclohex-2-enone
Database identifiers
- PubChem CID
- 19793418
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 489
Related reactions
2 records
Compound notes
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