SMILES:
CCn1ncc2c(NC3CCOCC3)c(-c3nc(CC4CCNCC4)no3)cnc21Molecular Processing
Molecular formula
C21H29N7O2
Molecular weight
411.51
Exact mass
411.2383
XLogP
2.63
TPSA
102.92
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
113.26
Supplementary Information
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