SMILES:
COc1cc2c(cc1O)CCN(C(=O)c1cc3ncc(Br)cn3n1)C2CMolecular Processing
Molecular formula
C18H17BrN4O3
Molecular weight
417.26
Exact mass
416.0484
XLogP
2.97
TPSA
79.96
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
98.5
Supplementary Information
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