tert-butyl 3-[2-(acetyloxy)ethoxy]-5-({[4-(tert-butyl)phenyl]sulfonyl}amino)-1-methyl-1H-pyrazole-4-carboxylate
Basic information
- Standard SMILES
CC(=O)OCCOc1nn(C)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C(=O)OC(C)(C)C- InChIKey
OIFURXKBAIORDG-UHFFFAOYSA-N- Molecular formula
- C23H33N3O7S
- Average molar mass
- 495.6 g/mol
- Monoisotopic mass
- 495.20392157
Names & identifiers
- Preferred name
- tert-butyl 3-[2-(acetyloxy)ethoxy]-5-({[4-(tert-butyl)phenyl]sulfonyl}amino)-1-methyl-1H-pyrazole-4-carboxylate
- IUPAC
- tert-butyl 3-(2-acetyloxyethoxy)-5-[(4-tert-butylphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylate
Names & synonyms
SCHEMBL6289758OIFURXKBAIORDG-UHFFFAOYSA-Ntert-butyl 3-[2-(acetyloxy)ethoxy]-5-({[4-(tert-butyl)phenyl]sulfonyl}amino)-1-methyl-1H-pyrazole-4-carboxylate
Database identifiers
- PubChem CID
- 22282018
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 806
Related reactions
6 records
Compound notes
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