Name: 5-chloro-2-[3-(2-phthalimidoacetamidomethyl)-5-methyl-4H-1,2,4-triazol-4-yl]-benzophenone
SMILES:
Cc1nnc(CNC(=O)CN2C(=O)c3ccccc3C2=O)n1-c1ccc(Cl)cc1C(=O)c1ccccc1Molecular Processing
Molecular formula
C27H20ClN5O4
Molecular weight
513.94
Exact mass
513.1204
XLogP
3.37
TPSA
114.26
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
37
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
134.64
Supplementary Information
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