(14aR)-2-(cyclopropanecarbonyl)-10-(3-methoxyphenyl)-3,4,6,8,14,14a-hexahydro-1H-pyrazino[2,1-c][1,4,7]benzoxadiazonin-7-one
AlkaPlorer ID: AK509073
Synonym: None
IUPAC Name: (14aR)-2-(cyclopropanecarbonyl)-10-(3-methoxyphenyl)-3,4,6,8,14,14a-hexahydro-1H-pyrazino[2,1-c][1,4,7]benzoxadiazonin-7-one
Structure
SMILES: COC1=CC=CC(C2=CC=C3OC[C@H]4CN(C(=O)C5CC5)CCN4CC(=O)NC3=C2)=C1
InChI: InChI=1S/C24H27N3O4/c1-30-20-4-2-3-17(11-20)18-7-8-22-21(12-18)25-23(28)14-26-9-10-27(13-19(26)15-31-22)24(29)16-5-6-16/h2-4,7-8,11-12,16,19H,5-6,9-10,13-15H2,1H3,(H,25,28)/t19-/m1/s1
InChIKey: RDCGDMABCSOLAM-LJQANCHMSA-N
Reference
PubChem CID: 138990470
Source
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Properties Information
Molecule Weight: 421.4970000000002
TPSA？: 71.11
MolLogP？: 2.6159
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
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