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2-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

ChemBase ID: 460070
Molecular Formular: C18H20N2O4
Molecular Mass: 328.3624
Monoisotopic Mass: 328.14230713
SMILES and InChIs

SMILES:
c1(C(=O)N2Cc3c(cc(c(c3)OC)OC)CC2)c(C2CC2)ocn1
Canonical SMILES:
COc1cc2CN(CCc2cc1OC)C(=O)c1ncoc1C1CC1
InChI:
InChI=1S/C18H20N2O4/c1-22-14-7-12-5-6-20(9-13(12)8-15(14)23-2)18(21)16-17(11-3-4-11)24-10-19-16/h7-8,10-11H,3-6,9H2,1-2H3
InChIKey:
KDEJSTIOCRSQIC-UHFFFAOYSA-N

Cite this record

CBID:460070 http://www.chembase.cn/molecule-460070.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
IUPAC Traditional name
2-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
Synonyms
2-[(5-cyclopropyl-1,3-oxazol-4-yl)carbonyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 1.6713296  LogD (pH = 7.4) 1.6713297 
Log P 1.6713297  Molar Refractivity 88.4589 cm3
Polarizability 33.335438 Å3 Polar Surface Area 64.8 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.01  LOG S -2.46 
Polar Surface Area 64.8 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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