이름: 2-(5-diethoxyphosphorylfuran-2-yl)-7-ethenyl-5-fluoro-1-(2-methylpropyl)-4-nitrobenzimidazole
SMILES:
CCOP(=O)(C1=CC=C(O1)C2=NC3=C(N2CC(C)C)C(=CC(=C3[N+](=O)[O-])F)C=C)OCCMolecular Processing
Molecular formula
C21H25FN3O6P
Molecular weight
465.42
Exact mass
465.1465
XLogP
5.53
TPSA
109.63
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
119.47
Supplementary Information
InChIKey: VTFGYDPSDDOVSQ-UHFFFAOYSA-N
동의어
SCHEMBL4954490VTFGYDPSDDOVSQ-UHFFFAOYSA-N4-nitro-7-vinyl-5-fluoro-1-isobutyl-2-(2-diethylphosphono-5-furanyl)benzimidazole
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