Name: Name:4-phenyl-8-sulfanyl-4,5,7,9-tetraazatricyclo[7.5.0.0,2,6]tetradeca-1,5,7-trien-3-one
Brand: Angene
SKU: AG019HDO
Rating: 90 (10 reviews)

4-phenyl-8-sulfanyl-4,5,7,9-tetraazatricyclo[7.5.0.0,2,6]tetradeca-1,5,7-trien-3-one

CAS No.:

721908-07-2

Catalog Number:

AG019HDO

Molecular Formula:

C16H16N4OS

Molecular Weight:

312.3894

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Product Description

Catalog Number:

AG019HDO

Chemical Name:

4-phenyl-8-sulfanyl-4,5,7,9-tetraazatricyclo[7.5.0.0,2,6]tetradeca-1,5,7-trien-3-one

CAS Number:

721908-07-2

Molecular Formula:

C16H16N4OS

Molecular Weight:

312.3894

MDL Number:

MFCD03955632

IUPAC Name:

4-phenyl-8-sulfanylidene-4,5,7,9-tetrazatricyclo[7.5.0.02,6]tetradeca-1,6-dien-3-one

InChI:

InChI=1S/C16H16N4OS/c21-15-13-12-9-5-2-6-10-19(12)16(22)17-14(13)18-20(15)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,17,18,22)

InChI Key:

QUUZUIMRZFXPLL-UHFFFAOYSA-N

SMILES:

Sc1nc2nn(c(=O)c2c2n1CCCCC2)c1ccccc1

Properties

Complexity:

577

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

312.104g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

312.391g/mol

Monoisotopic Mass:

312.104g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501