6-N-(3-chloro-4-fluorophenyl)-2-N-(2,3-dimethylcyclohexyl)-3-[(4-methoxyphenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
AlkaPlorer ID: AK337031
Synonym: None
IUPAC Name: 6-N-(3-chloro-4-fluorophenyl)-2-N-(2,3-dimethylcyclohexyl)-3-[(4-methoxyphenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
Structure
SMILES: COC1=CC=C(CN2C(=O)C3C(C(=O)NC4=CC=C(F)C(Cl)=C4)C4C=CC3(O4)C2C(=O)NC2CCCC(C)C2C)C=C1
InChI: InChI=1S/C32H35ClFN3O5/c1-17-5-4-6-24(18(17)2)36-30(39)28-32-14-13-25(42-32)26(29(38)35-20-9-12-23(34)22(33)15-20)27(32)31(40)37(28)16-19-7-10-21(41-3)11-8-19/h7-15,17-18,24-28H,4-6,16H2,1-3H3,(H,35,38)(H,36,39)
InChIKey: AUFPXTQSOVWKHB-UHFFFAOYSA-N
Reference
Tobacco Mosaic Virus (TMV) Inhibitors from <i>Picrasma quassioides</i> Benn
Sesquiterpenes and Alkaloids from the Roots of <i>Alangium chinense</i>
PubChem CID: 46503865
Source
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Properties Information
Molecule Weight: 596.0990000000003
TPSA？: 96.97
MolLogP？: 4.717900000000004
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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