Basic information
- Standard SMILES
CC(=O)SCC(Cc1ccccc1)C(=O)NC1CCCNC(=O)C1- InChIKey
SIKCWYKLXLMYIF-UHFFFAOYSA-N- Molecular formula
- C18H24N2O3S
- Average molar mass
- 348.5 g/mol
- Monoisotopic mass
- 348.15076381
Names & identifiers
- IUPAC
- S-[2-benzyl-3-oxo-3-[(2-oxoazepan-4-yl)amino]propyl] ethanethioate
Database identifiers
- PubChem CID
- 73128425
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 450
Related reactions
1 records
Compound notes
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