Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCO[C@@H](C(O)(CO)CO)[C@H](c2ccc(Cl)c(Cl)c2)C1- InChIKey
YXLSZTYQKNZTDW-XJKSGUPXSA-N- Molecular formula
- C19H27Cl2NO6
- Average molar mass
- 436.3 g/mol
Names & identifiers
- Preferred name
- tert-butyl (6R,7R)-6-(3,4-dichlorophenyl)-7-(1,2,3-trihydroxypropan-2-yl)-1,4-oxazepane-4-carboxylate
- IUPAC
- tert-butyl (6R,7R)-6-(3,4-dichlorophenyl)-7-(1,2,3-trihydroxypropan-2-yl)-1,4-oxazepane-4-carboxylate
Names & synonyms
SCHEMBL1281111YXLSZTYQKNZTDW-XJKSGUPXSA-Ntert-butyl (6R,7R)-6-(3,4-dichlorophenyl)-7-(1,2,3-trihydroxypropan-2-yl)-1,4-oxazepane-4-carboxylate
Database identifiers
- PubChem CID
- 66976366
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 99.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 525
Related reactions
1 records
Compound notes
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