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147056-67-5 | 1H-Imidazole-2-carboxamide, 4-[[[4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1-methyl-1H-imidazol-2-yl]carbonyl]amino]-N-[2-[[[2-(dimethylamino)ethyl]amino]carbonyl]-1-methyl-1H-imidazol-4-yl]-1-methyl-
CAS No: 147056-67-5 Catalog No: AG001EJX MDL No:
Product Description
Catalog Number:
AG001EJX
Chemical Name:
1H-Imidazole-2-carboxamide, 4-[[[4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1-methyl-1H-imidazol-2-yl]carbonyl]amino]-N-[2-[[[2-(dimethylamino)ethyl]amino]carbonyl]-1-methyl-1H-imidazol-4-yl]-1-methyl-
CAS Number:
147056-67-5
Molecular Formula:
C30H38Cl2N12O4
Molecular Weight:
701.6067
IUPAC Name:
4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-N-[2-[[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide
InChI:
InChI=1S/C30H38Cl2N12O4/c1-40(2)15-12-33-28(46)24-34-22(17-41(24)3)38-30(48)26-36-23(18-43(26)5)39-29(47)25-35-21(16-42(25)4)37-27(45)19-6-8-20(9-7-19)44(13-10-31)14-11-32/h6-9,16-18H,10-15H2,1-5H3,(H,33,46)(H,37,45)(H,38,48)(H,39,47)
InChI Key:
QTDSAAJVUBUGHT-UHFFFAOYSA-N
SMILES:
ClCCN(c1ccc(cc1)C(=O)Nc1nc(n(c1)C)C(=O)Nc1nc(n(c1)C)C(=O)Nc1nc(n(c1)C)C(=O)NCCN(C)C)CCCl
Properties
Complexity:
1090
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
700.252g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
701.614g/mol
Monoisotopic Mass:
700.252g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
176A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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