CAS 845885-87-2|1-{furo[3,2-c]pyridin-4-yl}-1,4-diazepane|1-{furo[3,2-c]pyridin-4-yl}-1,4-diazepane|1-(Furo[3,2-c]pyridin-4-yl)homopiperazine|1-(Furo[3,2-c]pyridin-4-yl)-1,4-diazepane|4-(1,4-Diazepa...

General Information

Structure

Molecular Formula

C₁₂H₁₅N₃O

Molecular Mass

217.267

Exact Mass

217.12151212

Charge

InChI

InChI=1S/C12H15N3O/c1-4-13-6-8-15(7-1)12-10-3-9-16-11(10)2-5-14-12/h2-3,5,9,13H,1,4,6-8H2

InChIKey

JGVLLHBTSVQMHS-UHFFFAOYSA-N

Canonic Smiles

N1CCCN(CC1)c1nccc2c1cco2

Isomeric Smiles

N1(c2nccc3c2cco3)CCCNCC1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-2.0460286

LogD (pH = 7.4)

-0.9934281

Log P

1.1412295

Molar Refractivity

63.1051

Polarizability

24.963585

Polar Surface Area

41.3

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC Traditional name

1-{furo[3,2-c]pyridin-4-yl}-1,4-diazepane

IUPAC name

1-{furo[3,2-c]pyridin-4-yl}-1,4-diazepane

Synonyms

1-(Furo[3,2-c]pyridin-4-yl)homopiperazine1-(Furo[3,2-c]pyridin-4-yl)-1,4-diazepane4-(1,4-Diazepan-1-yl)furo[3,2-c]pyridine

Names and Identifiers

Registration numbers

PubChem SID

PubChem CID

MDL Number

CAS Number

Registration numbers

Properties

Safety Information

Storage Warning

Harmful

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

PubChem Literature

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References

Bioactivity

PubChem BioAssay

Bioactivity

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General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Academic Data

• Commercial Catalog

Names and Identifiers

• IUPAC Traditional name

• IUPAC name

• Synonyms

Registration numbers

• PubChem SID

• PubChem CID

• MDL Number

• CAS Number

• Safety Information

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:77279