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155788-21-9 | 1H-Imidazole-2-carboxamide, N-[3-[[2-[[[2-(dimethylamino)ethyl]amino]carbonyl]-1-methyl-1H-imidazol-4-yl]amino]-3-oxopropyl]-4-(formylamino)-1-methyl-
CAS No: 155788-21-9 Catalog No: AG001O6Q MDL No:
Product Description
Catalog Number:
AG001O6Q
Chemical Name:
1H-Imidazole-2-carboxamide, N-[3-[[2-[[[2-(dimethylamino)ethyl]amino]carbonyl]-1-methyl-1H-imidazol-4-yl]amino]-3-oxopropyl]-4-(formylamino)-1-methyl-
CAS Number:
155788-21-9
Molecular Formula:
C18H27N9O4
Molecular Weight:
433.4649
IUPAC Name:
N-[3-[[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]amino]-3-oxopropyl]-4-formamido-1-methylimidazole-2-carboxamide
InChI:
InChI=1S/C18H27N9O4/c1-25(2)8-7-20-18(31)16-24-13(10-27(16)4)22-14(29)5-6-19-17(30)15-23-12(21-11-28)9-26(15)3/h9-11H,5-8H2,1-4H3,(H,19,30)(H,20,31)(H,21,28)(H,22,29)
InChI Key:
HEFOUKOLMQTMMR-UHFFFAOYSA-N
SMILES:
O=CNc1nc(n(c1)C)C(=O)NCCC(=O)Nc1nc(n(c1)C)C(=O)NCCN(C)C
Properties
Complexity:
648
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.219g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
433.473g/mol
Monoisotopic Mass:
433.219g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
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