Basic information
- Standard SMILES
CC(=O)SCC1CCCCCCC(CC(=O)OC(C)(C)C)C(=O)N1- InChIKey
ANYBYYBRTVNVOS-UHFFFAOYSA-N- Molecular formula
- C18H31NO4S
- Average molar mass
- 357.5 g/mol
Names & identifiers
- Preferred name
- 10-(Acetylthiomethyl)-3-t-butoxycarbonylmethyl-2-oxo-1-azacyclodecane
- IUPAC
- tert-butyl 2-[10-(acetylsulfanylmethyl)-2-oxoazecan-3-yl]acetate
Names & synonyms
SCHEMBL7387528ANYBYYBRTVNVOS-UHFFFAOYSA-N10-(acetylthiomethyl)-3-t-butoxycarbonylmethyl-2-oxo-1-azacyclodecane
Database identifiers
- PubChem CID
- 19930829
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 97.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 445
Related reactions
3 records
Compound notes
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