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N-benzyl-N-(cyclobutylmethyl)-2-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]acetamide

ChemBase ID: 341516
Molecular Formular: C20H28N6O
Molecular Mass: 368.47592
Monoisotopic Mass: 368.23245955
SMILES and InChIs

SMILES:
n1(c(nnn1)CN1CCCC1)CC(=O)N(Cc1ccccc1)CC1CCC1
Canonical SMILES:
O=C(N(Cc1ccccc1)CC1CCC1)Cn1nnnc1CN1CCCC1
InChI:
InChI=1S/C20H28N6O/c27-20(16-26-19(21-22-23-26)15-24-11-4-5-12-24)25(14-18-9-6-10-18)13-17-7-2-1-3-8-17/h1-3,7-8,18H,4-6,9-16H2
InChIKey:
UNWXJTHJVUVRGS-UHFFFAOYSA-N

Cite this record

CBID:341516 http://www.chembase.cn/molecule-341516.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-benzyl-N-(cyclobutylmethyl)-2-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]acetamide
IUPAC Traditional name
N-benzyl-N-(cyclobutylmethyl)-2-[5-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrazol-1-yl]acetamide
Synonyms
N-benzyl-N-(cyclobutylmethyl)-2-[5-(1-pyrrolidinylmethyl)-1H-tetrazol-1-yl]acetamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
LogD (pH = 7.4) 1.804976  Log P 1.8410842 
Molar Refractivity 117.8011 cm3 Polarizability 40.20219 Å3
Polar Surface Area 67.15 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 0.9450096 
Log P 2.65  LOG S -2.04 
Polar Surface Area 67.15 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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