SMILES:
Cc1c(CN2CCN(c3nccnc3-c3ccc(CO)cc3)CC2)cnn1CMolecular Processing
Molecular formula
C21H26N6O
Molecular weight
378.48
Exact mass
378.2168
XLogP
2
TPSA
70.31
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
108.83
Supplementary Information
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