Basic information
- Standard SMILES
O=C(CSCCCO)NC/C=C\COc1cc(CN2CCCCC2)ccn1- InChIKey
JKZVUPQWLXNIPR-DJWKRKHSSA-N- Molecular formula
- C20H31N3O3S
- Average molar mass
- 393.5 g/mol
Names & identifiers
- Preferred name
- N-[4-(4-piperidinomethyl-2-pyridyloxy)-cis-2-butenyl]-2-(3-hydroxypropylthio)acetamide
- IUPAC
- 2-(3-hydroxypropylsulfanyl)-N-[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]acetamide
Names & synonyms
SCHEMBL8921751JKZVUPQWLXNIPR-DJWKRKHSSA-NN-[4-(4-Piperidinomethyl-2-pyridyloxy) -cis-2-butenyl]-2-(3-hydroxypropylthio)acetamideN-[4-(4-piperidinomethyl-2-pyridyloxy)-cis-2-butenyl]-2-(3-hydroxypropylthio)acetamide
Database identifiers
- PubChem CID
- 67726286
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 431
Related reactions
2 records
Compound notes
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