Home Halogens N-benzyl-2-chloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide

N-benzyl-2-chloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide

CAS No.:
1000930-32-4
Catalog Number:
AG019P9U
Molecular Formula:
C18H17ClN2OS
Molecular Weight:
344.8584
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Product Description
Catalog Number:
AG019P9U
Chemical Name:
N-benzyl-2-chloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide
CAS Number:
1000930-32-4
Molecular Formula:
C18H17ClN2OS
Molecular Weight:
344.8584
MDL Number:
MFCD09802002
IUPAC Name:
N-benzyl-2-chloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide
InChI:
InChI=1S/C18H17ClN2OS/c1-12-8-9-15-17(13(12)2)20-18(23-15)21(16(22)10-19)11-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3
InChI Key:
MEGDDPBJSBYRRI-UHFFFAOYSA-N
SMILES:
ClCC(=O)N(c1sc2c(n1)c(C)c(cc2)C)Cc1ccccc1
Properties
Complexity:
416  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.075g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.857g/mol
Monoisotopic Mass:
344.075g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Properties