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2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-5-methoxy-N-(1H-1,2,3,4-tetrazol-5-ylmethyl)benzamide

ChemBase ID: 320701
Molecular Formular: C19H24N6O4
Molecular Mass: 400.43166
Monoisotopic Mass: 400.18590328
SMILES and InChIs

SMILES:
c1(C(=O)NCc2nnn[nH]2)c(OC2CCN(C(=O)C3CC3)CC2)ccc(c1)OC
Canonical SMILES:
COc1ccc(c(c1)C(=O)NCc1nnn[nH]1)OC1CCN(CC1)C(=O)C1CC1
InChI:
InChI=1S/C19H24N6O4/c1-28-14-4-5-16(15(10-14)18(26)20-11-17-21-23-24-22-17)29-13-6-8-25(9-7-13)19(27)12-2-3-12/h4-5,10,12-13H,2-3,6-9,11H2,1H3,(H,20,26)(H,21,22,23,24)
InChIKey:
NEPAPWUOEAWWNQ-UHFFFAOYSA-N

Cite this record

CBID:320701 http://www.chembase.cn/molecule-320701.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-5-methoxy-N-(1H-1,2,3,4-tetrazol-5-ylmethyl)benzamide
IUPAC Traditional name
2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-5-methoxy-N-(1H-1,2,3,4-tetrazol-5-ylmethyl)benzamide
Synonyms
2-{[1-(cyclopropylcarbonyl)piperidin-4-yl]oxy}-5-methoxy-N-(1H-tetrazol-5-ylmethyl)benzamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11042226 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 4.1130595  H Acceptors
H Donor LogD (pH = 5.5) -1.3822428 
LogD (pH = 7.4) -1.7837434  Log P -0.18085428 
Molar Refractivity 106.2812 cm3 Polarizability 39.300232 Å3
Polar Surface Area 122.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.47  LOG S -3.03 
Polar Surface Area 122.33 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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