 Home > Encyclopedia > 4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-N-[2-[[2-[4-(2-methoxyaziridin-1-yl)butylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide

4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-N-[2-[[2-[4-(2-methoxyaziridin-1-yl)butylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide

4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-N-[2-[[2-[4-(2-methoxyaziridin-1-yl)butylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide structure

CAS No:
200424-80-2
Formula:
C33H42Cl2N12O5
Chemical Name:
4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-N-[2-[[2-[4-(2-methoxyaziridin-1-yl)butylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide
Synonyms:
200424-80-2;DTXSID20942054;1H-Imidazole-2-carboxamide, 4-(((4-((4-(bis(2-chloroethyl)amino)benzoyl)amino)-1-methyl-1H-imidazol-2-yl)carbonyl)amino)-N-(2-(((4-(2-methoxy-1-aziridinyl)butyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-;4-{4-[Bis(2-chloroethyl)amino]benzamido}-N-{2-[(2-{[4-(2-methoxyaziridin-1-yl)butyl]carbamoyl}-1-methyl-1H-imidazol-4-yl)carbamoyl]-1-methyl-1H-imidazol-4-yl}-1-methyl-1H-imidazole-2-carboxamide

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4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-N-[2-[[2-[4-(2-methoxyaziridin-1-yl)butylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide Basic Attributes

Molecular Weight：

757.7 g/mol

Exact Mass：

756.2778179 g/mol

Characteristics

PSA：

185 Å²

Computed Properties

Molecular Weight:757.7
XLogP3:1.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:18
Exact Mass:756.2778179
Monoisotopic Mass:756.2778179
Topological Polar Surface Area:185
Heavy Atom Count:52
Complexity:1210
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-N-[2-[[2-[4-(2-methoxyaziridin-1-yl)butylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide

Basic Attributes
Characteristics
Computed Properties

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