Name: Name:13-chloro-11-ethyl-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,8,10,12-hexaene-10-carbonitrile
Brand: Angene
SKU: AG019OZF
Rating: 90 (10 reviews)

13-chloro-11-ethyl-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,8,10,12-hexaene-10-carbonitrile

CAS No.:

750598-94-8

Catalog Number:

AG019OZF

Molecular Formula:

C14H10ClN3

Molecular Weight:

255.7023

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Purity

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Product Description

Catalog Number:

AG019OZF

Chemical Name:

13-chloro-11-ethyl-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,8,10,12-hexaene-10-carbonitrile

CAS Number:

750598-94-8

Molecular Formula:

C14H10ClN3

Molecular Weight:

255.7023

MDL Number:

MFCD06335023

IUPAC Name:

1-chloro-3-ethylpyrido[1,2-a]benzimidazole-4-carbonitrile

InChI:

InChI=1S/C14H10ClN3/c1-2-9-7-13(15)18-12-6-4-3-5-11(12)17-14(18)10(9)8-16/h3-7H,2H2,1H3

InChI Key:

CUUJDAUMFHOCNP-UHFFFAOYSA-N

SMILES:

CCc1cc(Cl)n2c(c1C#N)nc1c2cccc1

Properties

Complexity:

363

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

255.056g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

255.705g/mol

Monoisotopic Mass:

255.056g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.7

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101