Basic information
- Standard SMILES
C=C(C)C[C@](CCCN(C(=O)OC(C)(C)C)[C@@H](C)c1ccc(Br)cc1)(N[S@](=O)C(C)(C)C)c1ccccc1- InChIKey
HDZXQRHDGGKZCI-BMXDLMEASA-N- Molecular formula
- C31H45BrN2O3S
- Average molar mass
- 605.7 g/mol
Names & identifiers
- Preferred name
- tert-butyl (S)-1-(4-bromophenyl)ethyl((S)-4-((R)-1,1-dimethylethylsulfinamido)-6-methyl-4-phenylhept-6-enyl)carbamate
- IUPAC
- tert-butyl N-[(1S)-1-(4-bromophenyl)ethyl]-N-[(4S)-4-[[(R)-tert-butylsulfinyl]amino]-6-methyl-4-phenylhept-6-enyl]carbamate
Names & synonyms
HDZXQRHDGGKZCI-BMXDLMEASA-Ntert-butyl (S)-1-(4-bromophenyl)ethyl((S)-4-((R)-1,1-dimethylethylsulfinamido)-6-methyl-4-phenylhept-6-enyl)carbamate
Database identifiers
- PubChem CID
- 67986476
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 792
Related reactions
1 records
Compound notes
Loading…