Basic information
- Standard SMILES
CCSc1ncccc1C(=O)NC(CCN1CCC(c2cccc(NC(=O)C(C)C)c2)CC1)c1ccccc1- InChIKey
LWKFFKHUPRLCKK-UHFFFAOYSA-N- Molecular formula
- C32H40N4O2S
- Average molar mass
- 544.8 g/mol
Names & identifiers
- Preferred name
- 2-ethylsulfanyl-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenylpropyl]pyridine-3-carboxamide
- IUPAC
- 2-ethylsulfanyl-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenylpropyl]pyridine-3-carboxamide
Database identifiers
- PubChem CID
- 22049243
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 99.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 750
Related reactions
1 records
Compound notes
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