Basic information
- Standard SMILES
O=C(CCCSCCO)NC/C=C\COc1cc(CN2CCCCC2)ccn1- InChIKey
DLQGOEJQJWXQRJ-DJWKRKHSSA-N- Molecular formula
- C21H33N3O3S
- Average molar mass
- 407.6 g/mol
Names & identifiers
- Preferred name
- N-[4-(4-Piperidinomethyl-2-pyridyloxy)-cis-2-butenyl]-4-(2-hydroxyethylthio)butyramide
- IUPAC
- 4-(2-hydroxyethylsulfanyl)-N-[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]butanamide
Names & synonyms
SCHEMBL8918157DLQGOEJQJWXQRJ-DJWKRKHSSA-NN-[4-(4-Piperidinomethyl-2-pyridyloxy)-cis-2-butenyl]-4-(2-hydroxyethylthio)butyramide
Database identifiers
- PubChem CID
- 67725591
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 445
Related reactions
2 records
Compound notes
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