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Home Sulfos 2-(chloromethyl)-1-ethyl-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole

2-(chloromethyl)-1-ethyl-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole

CAS No.:
785792-29-2
Catalog Number:
AG019JYK
Molecular Formula:
C14H18ClN3O3S
Molecular Weight:
343.8290
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Product Description
Catalog Number:
AG019JYK
Chemical Name:
2-(chloromethyl)-1-ethyl-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole
CAS Number:
785792-29-2
Molecular Formula:
C14H18ClN3O3S
Molecular Weight:
343.8290
MDL Number:
MFCD06350981
IUPAC Name:
4-[2-(chloromethyl)-1-ethylbenzimidazol-5-yl]sulfonylmorpholine
InChI:
InChI=1S/C14H18ClN3O3S/c1-2-18-13-4-3-11(9-12(13)16-14(18)10-15)22(19,20)17-5-7-21-8-6-17/h3-4,9H,2,5-8,10H2,1H3
InChI Key:
NYHTVVUCHJDWKV-UHFFFAOYSA-N
SMILES:
ClCc1nc2c(n1CC)ccc(c2)S(=O)(=O)N1CCOCC1
Properties
Complexity:
478  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.076g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.826g/mol
Monoisotopic Mass:
343.076g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
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
Properties