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1-(oxolan-2-ylmethyl)-4-[4-(1H-1,2,3,4-tetrazol-1-ylmethyl)benzoyl]piperazine

ChemBase ID: 320341
Molecular Formular: C18H24N6O2
Molecular Mass: 356.42216
Monoisotopic Mass: 356.19607404
SMILES and InChIs

SMILES:
n1nn(cn1)Cc1ccc(C(=O)N2CCN(CC3OCCC3)CC2)cc1
Canonical SMILES:
O=C(c1ccc(cc1)Cn1cnnn1)N1CCN(CC1)CC1CCCO1
InChI:
InChI=1S/C18H24N6O2/c25-18(16-5-3-15(4-6-16)12-24-14-19-20-21-24)23-9-7-22(8-10-23)13-17-2-1-11-26-17/h3-6,14,17H,1-2,7-13H2
InChIKey:
RCQIQAOYZNRSPN-UHFFFAOYSA-N

Cite this record

CBID:320341 http://www.chembase.cn/molecule-320341.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(oxolan-2-ylmethyl)-4-[4-(1H-1,2,3,4-tetrazol-1-ylmethyl)benzoyl]piperazine
IUPAC Traditional name
1-(oxolan-2-ylmethyl)-4-[4-(1,2,3,4-tetrazol-1-ylmethyl)benzoyl]piperazine
Synonyms
1-(tetrahydrofuran-2-ylmethyl)-4-[4-(1H-tetrazol-1-ylmethyl)benzoyl]piperazine

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) -0.7740428  LogD (pH = 7.4) 0.52124536 
Log P 0.64088583  Molar Refractivity 111.3238 cm3
Polarizability 36.945812 Å3 Polar Surface Area 76.38 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.07  LOG S -2.71 
Polar Surface Area 76.38 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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