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Basic information
- Standard SMILES
CC(=O)N1CCC(c2cc(C(=O)N3CCCC4CCCCC43)cs2)CC1- InChIKey
HJCIWIJTDIILLN-UHFFFAOYSA-N- Molecular formula
- C21H30N2O2S
- Average molar mass
- 374.5 g/mol
- Monoisotopic mass
- 374.20279938
Names & identifiers
- Preferred name
- 1-[4-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)thiophen-2-yl]piperidin-1-yl]ethanone
- IUPAC
- 1-[4-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)thiophen-2-yl]piperidin-1-yl]ethanone
Names & synonyms
SCHEMBL3793172
Database identifiers
- PubChem CID
- 59542467
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 532
Related reactions
1 records
Compound notes
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