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2-(cyclohex-2-en-1-yl)-5-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2,3-dihydropyridazin-3-one

ChemBase ID: 470280
Molecular Formular: C19H21N3O
Molecular Mass: 307.38954
Monoisotopic Mass: 307.16846231
SMILES and InChIs

SMILES:
n1(ncc(cc1=O)N1Cc2c(CC1)cccc2)C1C=CCCC1
Canonical SMILES:
O=c1cc(cnn1C1CCCC=C1)N1CCc2c(C1)cccc2
InChI:
InChI=1S/C19H21N3O/c23-19-12-18(13-20-22(19)17-8-2-1-3-9-17)21-11-10-15-6-4-5-7-16(15)14-21/h2,4-8,12-13,17H,1,3,9-11,14H2
InChIKey:
ISIDBQHDHXPOSQ-UHFFFAOYSA-N

Cite this record

CBID:470280 http://www.chembase.cn/molecule-470280.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(cyclohex-2-en-1-yl)-5-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2,3-dihydropyridazin-3-one
IUPAC Traditional name
2-(cyclohex-2-en-1-yl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-one
Synonyms
2-(2-cyclohexen-1-yl)-5-(3,4-dihydro-2(1H)-isoquinolinyl)-3(2H)-pyridazinone

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) 2.9599435  LogD (pH = 7.4) 2.9599442 
Log P 2.9599445  Molar Refractivity 94.4508 cm3
Polarizability 34.591698 Å3 Polar Surface Area 35.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.57  LOG S -4.49 
Polar Surface Area 38.13 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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