SMILES:
COc1ccc2c(OCc3nnc4ccc(C(=O)N[C@H]5CCNC5)cn34)ccnc2c1Molecular Processing
Molecular formula
C22H22N6O3
Molecular weight
418.46
Exact mass
418.1753
XLogP
1.96
TPSA
102.67
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
31
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
114.35
Supplementary Information
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