Molecules/(5-((2-Bromoethyl)(2-((methylsulfonyl)oxy)ethyl)amino)-4-(methylsulfonyl)-2-nitrophenyl)(4-ethyl-1-piperazinyl)methanone
(5-((2-Bromoethyl)(2-((methylsulfonyl)oxy)ethyl)amino)-4-(methylsulfonyl)-2-nitrophenyl)(4-ethyl-1-piperazinyl)methanone
2-[N-(2-bromoethyl)-5-(4-ethylpiperazine-1-carbonyl)-2-methylsulfonyl-4-nitroanilino]ethyl methanesulfonate
Molecular Identity
(5-((2-Bromoethyl)(2-((methylsulfonyl)oxy)ethyl)amino)-4-(methylsulfonyl)-2-nitrophenyl)(4-ethyl-1-piperazinyl)methanone
2-[N-(2-bromoethyl)-5-(4-ethylpiperazine-1-carbonyl)-2-methylsulfonyl-4-nitroanilino]ethyl methanesulfonate
PubChem CID: 90043890
2D Structure
Properties
C19H29BrN4O8S2
Molecular Formula
585.50
Molecular Weight
g/mol
584.0610
Exact Mass
Da
0.9
XLogP
Drug-like (Lipinski: < 5)
167
TPSA
May have limited oral absorption
0
H-Bond Donors
10
H-Bond Acceptors
908
Complexity
SMILES
Canonical SMILES
SMILES: CCN1CCN(CC1)C(=O)C2=CC(=C(C=C2[N+](=O)[O-])S(=O)(=O)C)N(CCOS(=O)(=O)C)CCBrIsomeric SMILES
SMILES: CCN1CCN(CC1)C(=O)C2=CC(=C(C=C2[N+](=O)[O-])S(=O)(=O)C)N(CCOS(=O)(=O)C)CCBrSynonyms(17)
U884AYM4BN2227303-52-6(5-((2-Bromoethyl)(2-((methylsulfonyl)oxy)ethyl)amino)-4-(methylsulfonyl)-2-nitrophenyl)(4-ethyl-1-piperazinyl)methanoneMethanone, (5-((2-bromoethyl)(2-((methylsulfonyl)oxy)ethyl)amino)-4-(methylsulfonyl)-2-nitrophenyl)(4-ethyl-1-piperazinyl)-RefChem:196507CP-506UNII-U884AYM4BNorb2566598CHEMBL5417217SCHEMBL15573878GLXC-27813AT40814DA-52102HY-149769CS-0907458
Data from PubChem (NCBI)
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Molecular Structure
(5-((2-Bromoethyl)(2-((methylsulfonyl)oxy)ethyl)amino)-4-(methylsulfonyl)-2-nitrophenyl)(4-ethyl-1-piperazinyl)methanone
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Drug Network
Trials and conditions connected to (5-((2-Bromoethyl)(2-((methylsulfonyl)oxy)ethyl)amino)-4-(methylsulfonyl)-2-nitrophenyl)(4-ethyl-1-piperazinyl)methanone
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