Name: 5-chloro-2-(3-aminomethyl-5-methyl-4H-1,2,4-triazol-4-yl)-benzophenone dihydrobromide
SMILES:
Br.Br.Cc1nnc(CN)n1-c1ccc(Cl)cc1C(=O)c1ccccc1Molecular Processing
Molecular formula
C17H17Br2ClN4O
Molecular weight
488.61
Exact mass
485.9458
XLogP
4.07
TPSA
73.8
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
3
Fraction Csp3
0.118
Molar refractivity
109.52
Supplementary Information
Details werden geladen…
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