SMILES:
CCN(CC)CCNC(C)c1ccc(CCc2cnc3c(N)nc4cc(C)ccc4c3c2)cc1Molecular Processing
Molecular formula
C29H37N5
Molecular weight
455.65
Exact mass
455.3049
XLogP
5.45
TPSA
67.07
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
34
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.379
Molar refractivity
144.25
Supplementary Information
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