CCOCc1nc2c(N)nc3cc(Br)ccc3c2n1CC1COC(C)(C)O1
SMILES: CCOCc1nc2c(N)nc3cc(Br)ccc3c2n1CC1COC(C)(C)O1

Molecular Processing

Molecular formula
C19H23BrN4O3
Molecular weight
435.32
Exact mass
434.0954
XLogP
3.62
TPSA
84.42
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.474
Molar refractivity
107.38

Supplementary Information

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