الاسم: 2,6-dichloro-3-[N-[4-(methylcarbamoyl)cinnamoylglycyl]-N-methylamino]benzyl bromide
SMILES:
CNC(=O)c1ccc(C=CC(=O)NCC(=O)N(C)c2ccc(Cl)c(CBr)c2Cl)cc1Molecular Processing
Molecular formula
C21H20BrCl2N3O3
Molecular weight
513.22
Exact mass
511.0065
XLogP
4.04
TPSA
78.51
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
30
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
124.38
Supplementary Information
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