名称: 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(4-bromophenyl)ethanone
SMILES:
C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)Br)C4=NON=C4NMolecular Processing
Molecular formula
C17H12BrN5O2
Molecular weight
398.22
Exact mass
397.0174
XLogP
3.31
TPSA
99.83
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
25
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.059
Molar refractivity
95.91
Supplementary Information
InChIKey: WHMFITYGXNUCPC-UHFFFAOYSA-N
同義語
SCHEMBL1386481WHMFITYGXNUCPC-UHFFFAOYSA-N4-[1-(4-bromophenacyl)-1H-benzimidazol-2-yl]-furazan-3-ylamine
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