SMILES:
COc1ccc(CNc2ncc3c(C)c(Br)c(=O)n(C4CCCC4)c3n2)cc1Molecular Processing
Molecular formula
C21H23BrN4O2
Molecular weight
443.35
Exact mass
442.1004
XLogP
4.6
TPSA
69.04
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
114.06
Supplementary Information
Details werden geladen…
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