SIR3 9vix 45
Basic information
- CAS
56501-68-9- Standard SMILES
N#CN1CC(C(=O)N2CCCCC2)C=C2c3cccc4[nH]cc(c34)CC21- InChIKey
BOYFJBFTOSPHBB-UHFFFAOYSA-N- Molecular formula
- C21H22N4O
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.17936134
Names & identifiers
- Preferred name
- SIR3 9vix 45
- IUPAC
- 9-(piperidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carbonitrile
Names & synonyms
SIR3 9vix 45NSC21059156501-68-9SIR3-9vix-45DTXSID00309000NSC-2105918-(Piperidine-1-carbonyl)-9,10-didehydroergoline-6-carbonitrile
Database identifiers
- CAS
56501-68-9- PubChem CID
- 308708
- DTXSID
DTXSID00309000
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 658
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Compound notes
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