Racemic [2-phenyl-3-(toluene-4-sulfonyl)-3-aza-bicyclo[3.1.0]hex-1-yl]-carbamic acid tert-butyl ester
Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)N2CC3CC3(NC(=O)OC(C)(C)C)C2c2ccccc2)cc1- InChIKey
CLHIVXXWNMDBFN-UHFFFAOYSA-N- Molecular formula
- C23H28N2O4S
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.17697855
Names & identifiers
- Preferred name
- Racemic [2-phenyl-3-(toluene-4-sulfonyl)-3-aza-bicyclo[3.1.0]hex-1-yl]-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[3-(4-methylphenyl)sulfonyl-2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl]carbamate
Names & synonyms
SCHEMBL5164204CLHIVXXWNMDBFN-UHFFFAOYSA-N[2-phenyl-3-(toluene-4-sulfonyl)-3-aza-bicyclo[3.1.0]hex-1-yl]-carbamic acid tert-butyl esterracemic [2-phenyl-3-(toluene-4-sulfonyl)-3-aza-bicyclo[3.1.0]hex-1-yl]-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69337282
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 742
Related reactions
4 records
Compound notes
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