SMILES:
O=c1c(Br)c(-c2ccncc2)nc2n1CCCN2CC(O)CCc1ccccc1Molecular Processing
Molecular formula
C22H23BrN4O2
Molecular weight
455.36
Exact mass
454.1004
XLogP
3.27
TPSA
71.25
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
117.03
Supplementary Information
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