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606111-49-3 | Acetamide, N-2-benzothiazolyl-2-[[4-butyl-5-(2-furanyl)-4H-1,2,4-triazol-3-yl]thio]- (9CI)
CAS No: 606111-49-3 Catalog No: AG00EHWD MDL No:
Product Description
Catalog Number:
AG00EHWD
Chemical Name:
Acetamide, N-2-benzothiazolyl-2-[[4-butyl-5-(2-furanyl)-4H-1,2,4-triazol-3-yl]thio]- (9CI)
CAS Number:
606111-49-3
IUPAC Name:
N-(1,3-benzothiazol-2-yl)-2-[[4-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
InChI:
InChI=1S/C19H19N5O2S2/c1-2-3-10-24-17(14-8-6-11-26-14)22-23-19(24)27-12-16(25)21-18-20-13-7-4-5-9-15(13)28-18/h4-9,11H,2-3,10,12H2,1H3,(H,20,21,25)
InChI Key:
QWJZNVRFIOBTDO-UHFFFAOYSA-N
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.098g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
413.514g/mol
Monoisotopic Mass:
413.098g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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