CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=NOC(=O)OCC)N)C(=O)OC
Название: methyl 2-ethoxy-3-[[4-[2-(N'-ethoxycarbonyloxycarbamimidoyl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
SMILES: CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=NOC(=O)OCC)N)C(=O)OC

Molecular Processing

Molecular formula
C28H28N4O6
Molecular weight
516.55
Exact mass
516.2009
XLogP
4.73
TPSA
127.26
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
38
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
142.05

Supplementary Information

InChIKey: LXJBGCQTQMPDAQ-UHFFFAOYSA-N
Синонимы
Methyl 2-ethoxy-1-[[2'-(ethoxycarbonyloxycarbamimidoyl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylateMethyl 2-ethoxy-1-[[2'-(ethoxycarbonyloxycarbamimidoyl]biphenyl-4-yl]methyl]benzimidazole-7-carboxylateC44LS3A4R5SCHEMBL7019189LXJBGCQTQMPDAQ-UHFFFAOYSA-Nmethyl 2-ethoxy-1-((2'-(N-((ethoxycarbonyl)oxy)carbamimidoyl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylateMethyl 2-ethoxy-1-[[2'-(ethoxycarbonyloxy-carbamimidoyl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylateMethyl 2-ethoxy-1-[[2'-[[[(ethoxycarbonyl)oxy]amino]iminomethyl][1,1'-biphenyl]-4-yl]methyl]-1H-benzimidazole-7-carboxylate
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