Name: Name:2-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Brand: Angene
SKU: AG019HXY
Rating: 90 (10 reviews)

2-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

CAS No.:

258843-88-8

Catalog Number:

AG019HXY

Molecular Formula:

C20H22N4O2S

Molecular Weight:

382.4793

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Product Description

Catalog Number:

AG019HXY

Chemical Name:

2-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

CAS Number:

258843-88-8

Molecular Formula:

C20H22N4O2S

Molecular Weight:

382.4793

MDL Number:

MFCD03961628

IUPAC Name:

2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

InChI:

InChI=1S/C20H22N4O2S/c1-12-17(20(26)24(23(12)2)13-8-4-3-5-9-13)22-19(25)16-14-10-6-7-11-15(14)27-18(16)21/h3-5,8-9H,6-7,10-11,21H2,1-2H3,(H,22,25)

InChI Key:

MENRJWVRGJKCQR-UHFFFAOYSA-N

SMILES:

O=C(c1c(N)sc2c1CCCC2)Nc1c(C)n(n(c1=O)c1ccccc1)C

Properties

Complexity:

646

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

382.146g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

382.482g/mol

Monoisotopic Mass:

382.146g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

107A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.1

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