(14aR)-10-(2-methyl-1,2,4-triazol-3-yl)-1,2,3,4,6,8,14,14a-octahydropyrazino[2,1-c][1,4,7]benzoxadiazonin-7-one
AlkaPlorer ID: AK413607
Synonym: None
IUPAC Name: (14aR)-10-(2-methyl-1,2,4-triazol-3-yl)-1,2,3,4,6,8,14,14a-octahydropyrazino[2,1-c][1,4,7]benzoxadiazonin-7-one
Structure
SMILES: CN1N=CN=C1C1=CC=C2OC[C@H]3CNCCN3CC(=O)NC2=C1
InChI: InChI=1S/C16H20N6O2/c1-21-16(18-10-19-21)11-2-3-14-13(6-11)20-15(23)8-22-5-4-17-7-12(22)9-24-14/h2-3,6,10,12,17H,4-5,7-9H2,1H3,(H,20,23)/t12-/m1/s1
InChIKey: IPDNFPOVKVTTPM-GFCCVEGCSA-N
Reference
PubChem CID: 138990282
Source
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Properties Information
Molecule Weight: 328.37600000000003
TPSA？: 84.31
MolLogP？: 0.0868000000000007
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 4
Activities Information
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