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51543-98-7 | Dimethyl (4-methyl-1,3-phenylenebis(iminocarbonyl-1H-benzimidazole-1,2-diyl))biscarbamate
CAS No: 51543-98-7 Catalog No: AG00DV8P MDL No:
Product Description
Catalog Number:
AG00DV8P
Chemical Name:
Dimethyl (4-methyl-1,3-phenylenebis(iminocarbonyl-1H-benzimidazole-1,2-diyl))biscarbamate
CAS Number:
51543-98-7
IUPAC Name:
methyl N-[1-[[3-[[2-(methoxycarbonylamino)benzimidazole-1-carbonyl]amino]-4-methylphenyl]carbamoyl]benzimidazol-2-yl]carbamate
InChI:
InChI=1S/C27H24N8O6/c1-15-12-13-16(28-24(36)34-20-10-6-4-8-17(20)29-22(34)32-26(38)40-2)14-19(15)31-25(37)35-21-11-7-5-9-18(21)30-23(35)33-27(39)41-3/h4-14H,1-3H3,(H,28,36)(H,31,37)(H,29,32,38)(H,30,33,39)
InChI Key:
HWDMQGIQFUEULN-UHFFFAOYSA-N
UNII:
7QO5DJ7D39
Properties
Complexity:
986
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
556.182g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
556.539g/mol
Monoisotopic Mass:
556.182g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
171A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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