Basic information
- Standard SMILES
CCn1ncc(C(=O)c2ccc3c(c2C)C(OC)CCS3(=O)=O)c1OC(C)=O- InChIKey
OOHXNVIVBYUYDI-UHFFFAOYSA-N- Molecular formula
- C19H22N2O6S
- Average molar mass
- 406.5 g/mol
Names & identifiers
- Preferred name
- 4-Methoxy-5-methyl-6-(1-ethyl-5-acetoxypyrazol-4-yl)carbonylthiochroman-1,1-dioxide
- IUPAC
- [1-ethyl-4-(4-methoxy-5-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbonyl)pyrazol-5-yl] acetate
Names & synonyms
SCHEMBL8618473OOHXNVIVBYUYDI-UHFFFAOYSA-N4-methoxy-5-methyl-6-(1-ethyl-5-acetoxypyrazol-4-yl)carbonylthiochroman-1,1-dioxide
Database identifiers
- PubChem CID
- 22101889
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 706
Related reactions
3 records
Compound notes
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