Basic information
- Standard SMILES
CC(C)(C)OC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2- InChIKey
VXYMFOKMBNBNHS-UHFFFAOYSA-N- Molecular formula
- C24H30BrNO5S
- Average molar mass
- 524.5 g/mol
- Monoisotopic mass
- 523.10281
Names & identifiers
- Preferred name
- tert-butyl 2-(N-(4-bromobenzyl)-2,2-dimethylchroman-6-sulfonamido)acetate
- IUPAC
- tert-butyl 2-[(4-bromophenyl)methyl-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]amino]acetate
Names & synonyms
SCHEMBL2239998VXYMFOKMBNBNHS-UHFFFAOYSA-Ntert-butyl 2-(N-(4-bromobenzyl)-2,2-dimethylchroman-6-sulfonamido)acetate
Database identifiers
- PubChem CID
- 58409095
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 749
Related reactions
2 records
Compound notes
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