Basic information
- Standard SMILES
C=C[C@@H]1CCC[C@@H]2SCC[C@H](NC(=O)OC(C)(C)C)C(=O)N12- InChIKey
KZZTXYQJOVVDHS-AGIUHOORSA-N- Molecular formula
- C16H26N2O3S
- Average molar mass
- 326.5 g/mol
Names & identifiers
- Preferred name
- tert-butyl (4S,7S,10aS)-5-oxo-7-vinyloctahydro-2H-pyrido[2,1-b][1,3]thiazepin-4-ylcarbamate
- IUPAC
- tert-butyl N-[(4S,7S,10aS)-7-ethenyl-5-oxo-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepin-4-yl]carbamate
Names & synonyms
SCHEMBL17770881KZZTXYQJOVVDHS-AGIUHOORSA-Ntert-butyl (4S,7S,10aS)-5-oxo-7-vinyloctahydro-2H-pyrido[2,1-b][1,3]thiazepin-4-ylcarbamate
Database identifiers
- PubChem CID
- 86706232
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 447
Related reactions
3 records
Compound notes
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