Basic information
- Standard SMILES
CCCC(=O)OCCSCC(=O)NC/C=C\COc1cc(CN2CCCCC2)ccn1- InChIKey
LARMFXGRXNYEAE-DAXSKMNVSA-N- Molecular formula
- C23H35N3O4S
- Average molar mass
- 449.6 g/mol
Names & identifiers
- Preferred name
- N-[4-(4-Piperidinomethyl-2-pyridyloxy)-cis-2-butenyl]-2-(2-butyryloxyethylthio)acetamide
- IUPAC
- 2-[2-oxo-2-[[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]amino]ethyl]sulfanylethyl butanoate
Names & synonyms
SCHEMBL8919360LARMFXGRXNYEAE-DAXSKMNVSA-NN-[4-(4-Piperidinomethyl-2-pyridyloxy)-cis-2-butenyl]-2-(2-butyryloxyethylthio)acetamide
Database identifiers
- PubChem CID
- 67725830
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 15
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 541
Related reactions
1 records
Compound notes
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