Molecule ID: 188235

IUPAC Name: (3S)-3,5-bis(6-bromo-1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one

Description: The molecule is an optically active form of hamacanthin A having S-configuration. It is an antifungal drug isolated from deep water marine sponge Hamacantha sp.

SMILES: O=C1NC[C@H](c2c[nH]c3cc(Br)ccc23)N=C1c1c[nH]c2cc(Br)ccc12

SELFIES: [O][=C][N][C][C@H1][Branch1][P][C][=C][NH1][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][N][=C][Ring1][S][C][=C][NH1][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1]

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

Molecular Properties:
- Polar Surface Area: 73.0 Ų
- LogP: 4.1