Basic information
- Standard SMILES
Cc1cc(CN(CC(=O)OC(C)(C)C)S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)ccc1Br- InChIKey
JSNYXIIFDCBCLC-UHFFFAOYSA-N- Molecular formula
- C25H32BrNO5S
- Average molar mass
- 538.5 g/mol
- Monoisotopic mass
- 537.11846
Names & identifiers
- Preferred name
- tert-butyl 2-(N-(4-bromo-3-methylbenzyl)-2,2-dimethylchroman-6-sulfonamido)acetate
- IUPAC
- tert-butyl 2-[(4-bromo-3-methylphenyl)methyl-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]amino]acetate
Names & synonyms
SCHEMBL2249014JSNYXIIFDCBCLC-UHFFFAOYSA-Ntert-butyl 2-(N-(4-bromo-3-methylbenzyl)-2,2-dimethylchroman-6-sulfonamido)acetate
Database identifiers
- PubChem CID
- 58409101
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 788
Related reactions
2 records
Compound notes
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