SMILES:
CCOC(=O)C1(OCc2cc(F)ccc2Br)CCCn2c(-c3ccc(-c4cnc(C)o4)c(OC)c3)nnc21Molecular Processing
Molecular formula
C27H26BrFN4O5
Molecular weight
585.43
Exact mass
584.1071
XLogP
5.59
TPSA
101.5
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
38
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
138.68
Supplementary Information
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