Basic information
- Standard SMILES
COc1ccc(OC)c(CC(=O)c2ccc(C(C)C)c(OS(N)(=O)=O)c2C(C)C)c1- InChIKey
VUKGWEPYJTUIFU-UHFFFAOYSA-N- Molecular formula
- C22H29NO6S
- Average molar mass
- 435.5 g/mol
Names & identifiers
- Preferred name
- Sulfamic acid[2,5-dimethoxyphenyl(acetyl)]-2,6-bis(1-methylethyl)phenyl ester
- IUPAC
- [3-[2-(2,5-dimethoxyphenyl)acetyl]-2,6-di(propan-2-yl)phenyl] sulfamate
Names & synonyms
SCHEMBL7206833VUKGWEPYJTUIFU-UHFFFAOYSA-Nsulfamic acid[2,5-dimethoxyphenyl(acetyl)]-2,6-bis(1-methylethyl)phenyl estersulfamic acid[2,5-dimethoxyphenyl-(acetyl)]-2,6-bis(1-methylethyl)phenyl ester
Database identifiers
- PubChem CID
- 19046540
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 659
Related reactions
2 records
Compound notes
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