(carbonyl-11C)WAY-100635
Basic information
- CAS
162760-97-6- Standard SMILES
COc1ccccc1N1CCN(CCN(c2ccccn2)[11C](=O)C2CCCCC2)CC1- InChIKey
SBPRIAGPYFYCRT-FNNGWQQSSA-N- Molecular formula
- C25H34N4O2
- Average molar mass
- 421.6 g/mol
- Monoisotopic mass
- 421.2796089
Names & identifiers
- Preferred name
- (carbonyl-11C)WAY-100635
- IUPAC
- N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
Names & synonyms
(carbonyl-11C)WAY-100635DAV805YGOXUNII-DAV805YGOX(Carbonyl-(11)C)Way 100635[11C]WAY100635162760-97-6WAY-100635 C-11[11C]WAY-100635[11C]WAY100635 (PET ligand)11C-WAYGTPL3252CHEMBL5174038
Show more names
SCHEMBL13398069SCHEMBL30720034[Carbonyl-11C]WAY100635MOLI000016MOLI00164311C-WAY100635WAY-100635 CARBONYL-C-11WAY-100635, C-11 CARBONYL
Database identifiers
- CAS
162760-97-6- PubChem CID
- 449645
- ChEMBL
CHEMBL5174038- UNII
- DAV805YGOX
- Nikkaji
- J1.482.187B
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 546
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Related reactions
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Compound notes
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