Basic information
- Standard SMILES
CC(=O)OCCS(=O)(=O)CC(=O)NC/C=C\COc1cc(CN2CCCCC2)ccn1- InChIKey
CQMIVJXJCQNKJQ-UTCJRWHESA-N- Molecular formula
- C21H31N3O6S
- Average molar mass
- 453.6 g/mol
Names & identifiers
- Preferred name
- N-[4-(4-Piperidinomethyl-2-pyridyloxy)-cis-2-butenyl]-2-(2-acetoxyethylsulfonyl)acetamide
- IUPAC
- 2-[2-oxo-2-[[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]amino]ethyl]sulfonylethyl acetate
Names & synonyms
SCHEMBL8919886CQMIVJXJCQNKJQ-UTCJRWHESA-NN-[4-(4-Piperidinomethyl-2-pyridyloxy)-cis-2-butenyl]-2-(2-acetoxyethylsulfonyl)acetamide
Database identifiers
- PubChem CID
- 67725940
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 686
Related reactions
1 records
Compound notes
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