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160098-93-1 | 2(1H)-Pyrazinone, 3,5-bis(6-bromo-1H-indol-3-yl)-5,6-dihydro-, (5S)-
CAS No: 160098-93-1 Catalog No: AG001RNI MDL No:
Product Description
Catalog Number:
AG001RNI
Chemical Name:
2(1H)-Pyrazinone, 3,5-bis(6-bromo-1H-indol-3-yl)-5,6-dihydro-, (5S)-
CAS Number:
160098-93-1
Molecular Formula:
C20H14Br2N4O
Molecular Weight:
486.1594
IUPAC Name:
(3S)-3,5-bis(6-bromo-1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one
InChI:
InChI=1S/C20H14Br2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-20(27)19(26-18)15-8-24-17-6-11(22)2-4-13(15)17/h1-8,18,23-24H,9H2,(H,25,27)/t18-/m1/s1
InChI Key:
MYXLDFYXMNSXDR-GOSISDBHSA-N
SMILES:
Brc1ccc2c(c1)[nH]cc2[C@H]1CNC(=O)C(=N1)c1c[nH]c2c1ccc(c2)Br
Properties
Complexity:
629
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
485.951g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
486.167g/mol
Monoisotopic Mass:
483.953g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Bisindole alkaloids of the topsentin and hamacanthin classes from a marine sponge Spongosorites sp. | Journal of natural products 20070101 |
| Enantioselective synthesis of marine indole alkaloid hamacanthin B. | The Journal of organic chemistry 20020222 |
| Hamacanthins A and B, new antifungal bis indole alkaloids from the deep-water marine sponge, Hamacantha sp. | Journal of natural products 19941001 |
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