SMILES:
COc1nnc(-c2ccncc2)cc1-c1cc2ccc(Br)cc2n1C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C23H21BrN4O3
Molecular weight
481.35
Exact mass
480.0797
XLogP
5.71
TPSA
79.13
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
31
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
122.08
Supplementary Information
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