SMILES:
Cc1nc(N)nc2c1C(=NOC(CCO)C(=O)N(C)C)NC(c1ccc(F)cc1Br)C2Molecular Processing
Molecular formula
C20H24BrFN6O3
Molecular weight
495.35
Exact mass
494.1077
XLogP
1.67
TPSA
125.96
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
116.67
Supplementary Information
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