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77952-77-3 | Acetamide, 2-((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H -imidazol-5-yl)thio)-
CAS No: 77952-77-3 Catalog No: AG00GATY MDL No:
Product Description
Catalog Number:
AG00GATY
Chemical Name:
Acetamide, 2-((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H -imidazol-5-yl)thio)-
CAS Number:
77952-77-3
IUPAC Name:
2-[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylacetamide
InChI:
InChI=1S/C14H15N5O6S/c1-8-16-13(19(23)24)14(26-7-12(15)20)17(8)6-9-3-4-11(25-2)10(5-9)18(21)22/h3-5H,6-7H2,1-2H3,(H2,15,20)
InChI Key:
XQUIWHSINICZJU-UHFFFAOYSA-N
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.074g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
381.363g/mol
Monoisotopic Mass:
381.074g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
187A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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