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303995-21-3

303995-21-3 | 4-[1-(benzenesulfonyl)-4-(pyridin-2-yl)-1H-pyrazol-3-yl]morpholine

CAS No: 303995-21-3 Catalog No: AG00INW1 MDL No:MFCD00127188

Product Description

Catalog Number:
AG00INW1
Chemical Name:
4-[1-(benzenesulfonyl)-4-(pyridin-2-yl)-1H-pyrazol-3-yl]morpholine
CAS Number:
303995-21-3
Molecular Formula:
C18H18N4O3S
Molecular Weight:
370.4255
MDL Number:
MFCD00127188
IUPAC Name:
4-[1-(benzenesulfonyl)-4-pyridin-2-ylpyrazol-3-yl]morpholine
InChI:
InChI=1S/C18H18N4O3S/c23-26(24,15-6-2-1-3-7-15)22-14-16(17-8-4-5-9-19-17)18(20-22)21-10-12-25-13-11-21/h1-9,14H,10-13H2
InChI Key:
GSZDXZWTASMABW-UHFFFAOYSA-N
SMILES:
O=S(=O)(n1nc(c(c1)c1ccccn1)N1CCOCC1)c1ccccc1

Properties

Complexity:
555  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.11g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.427g/mol
Monoisotopic Mass:
370.11g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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

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