2,5-bis(6-bromo-1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one
Basic information
- CAS
160098-92-0- Standard SMILES
O=C1NC(c2c[nH]c3cc(Br)ccc23)CN=C1c1c[nH]c2cc(Br)ccc12- InChIKey
LJVUNJVGWMVCQH-UHFFFAOYSA-N- Molecular formula
- C20H14Br2N4O
- Average molar mass
- 486.2 g/mol
- Monoisotopic mass
- 483.95344
Overview
Hamacanthin A has been reported in Spongosorites and Hamacantha with data available.
Names & identifiers
- Preferred name
- 2,5-bis(6-bromo-1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one
- IUPAC
- 2,5-bis(6-bromo-1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one
Names & synonyms
Hamacanthin A2,5-bis(6-bromo-1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one160098-92-0DTXSID309362222(1H)-Pyrazinone, 3,6-bis(6-bromo-1H-indol-3-yl)-5,6-dihydro-, (+)-
Database identifiers
- CAS
160098-92-0- PubChem CID
- 461371
- DTXSID
DTXSID30936222- ChEMBL
CHEMBL219456- Nikkaji
- J624.352E
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 73 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 629
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Related reactions
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Compound notes
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