Basic information
- Standard SMILES
CC(C)(C)OC(=O)[C@H](O)[C@@H](O)C(=O)N(CCCl)c1ccc(F)cc1- InChIKey
NPGJOEGGKNQZQF-CHWSQXEVSA-N- Molecular formula
- C16H21ClFNO5
- Average molar mass
- 361.79 g/mol
Names & identifiers
- Preferred name
- tert-butyl (2R,3R)-4-[N-(2-chloroethyl)-4-fluoroanilino]-2,3-dihydroxy-4-oxobutanoate
- IUPAC
- tert-butyl (2R,3R)-4-[N-(2-chloroethyl)-4-fluoroanilino]-2,3-dihydroxy-4-oxobutanoate
Names & synonyms
SCHEMBL1946881NPGJOEGGKNQZQF-CHWSQXEVSA-Ntert-butyl (2R,3R)-4-[N-(2-chloroethyl)-4-fluoroanilino]-2,3-dihydroxy-4-oxobutanoate
Database identifiers
- PubChem CID
- 67221977
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 435
Related reactions
1 records
Compound notes
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