1-{thieno[3,2-d]pyrimidin-4-yl}-1,4-diazepane|4-(1,4-Diazepan-1-yl)thieno[3,2-d]pyrimidine|1-{thieno[3,2-d]pyrimidin-4-yl}-1,4-diazepane|4-Homopiperazinothieno[3,2-d]pyrimidine

General Information

Structure

Molecular Formula

C₁₁H₁₄N₄S

Molecular Mass

234.32066

Exact Mass

234.09391747

Charge

InChI

InChI=1S/C11H14N4S/c1-3-12-4-6-15(5-1)11-10-9(2-7-16-10)13-8-14-11/h2,7-8,12H,1,3-6H2

InChIKey

FGIPAMUERRLAHR-UHFFFAOYSA-N

Canonic Smiles

N1CCCN(CC1)c1ncnc2c1scc2

Isomeric Smiles

s1c2c(ncnc2N2CCNCCC2)cc1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.6434817

LogD (pH = 7.4)

-0.5579468

Log P

1.5381434

Molar Refractivity

66.0533

Polarizability

25.854424

Polar Surface Area

41.05

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

1-{thieno[3,2-d]pyrimidin-4-yl}-1,4-diazepane

IUPAC name

1-{thieno[3,2-d]pyrimidin-4-yl}-1,4-diazepane

Synonyms

4-(1,4-Diazepan-1-yl)thieno[3,2-d]pyrimidine4-Homopiperazinothieno[3,2-d]pyrimidine

Names and Identifiers

Registration numbers

PubChem CID

26369786

PubChem SID

162039630

MDL Number

MFCD09260484

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

暂无数据

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

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General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Commercial Catalog

• Academic Data

Names and Identifiers

• IUPAC Traditional name

• IUPAC name

• Synonyms

Registration numbers

• PubChem CID

• PubChem SID

• MDL Number

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:74712