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4-{1-[4-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)phenyl]ethyl}morpholine

ChemBase ID: 470191
Molecular Formular: C19H21N5O
Molecular Mass: 335.40294
Monoisotopic Mass: 335.17461032
SMILES and InChIs

SMILES:
n1(c(nnn1)c1ccc(C(N2CCOCC2)C)cc1)c1ccccc1
Canonical SMILES:
CC(c1ccc(cc1)c1nnnn1c1ccccc1)N1CCOCC1
InChI:
InChI=1S/C19H21N5O/c1-15(23-11-13-25-14-12-23)16-7-9-17(10-8-16)19-20-21-22-24(19)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3
InChIKey:
RAYYSTAVNCAVPX-UHFFFAOYSA-N

Cite this record

CBID:470191 http://www.chembase.cn/molecule-470191.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-{1-[4-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)phenyl]ethyl}morpholine
IUPAC Traditional name
4-{1-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)phenyl]ethyl}morpholine
Synonyms
4-{1-[4-(1-phenyl-1H-tetrazol-5-yl)phenyl]ethyl}morpholine

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)
LogD (pH = 5.5) 1.3359334  LogD (pH = 7.4) 2.901944 
Log P 3.1749117  Molar Refractivity 110.1305 cm3
Polarizability 38.4822 Å3 Polar Surface Area 56.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.24  LOG S -3.4 
Polar Surface Area 56.07 Å2 Rotatable Bonds
H Acceptors H Donor

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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