SMILES:
CC1CN(C(=O)c2nn(-c3ccnc(N)n3)c3cc(Br)ccc23)CC(C)O1Molecular Processing
Molecular formula
C18H19BrN6O2
Molecular weight
431.29
Exact mass
430.0753
XLogP
2.41
TPSA
99.16
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
104.68
Supplementary Information
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