SMILES:
CCN(CC)CCON=C1CC(c2ccccc2-c2ccccc2)Cc2nc(N)nc(C)c21Molecular Processing
Molecular formula
C27H33N5O
Molecular weight
443.6
Exact mass
443.2685
XLogP
4.83
TPSA
76.63
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.37
Molar refractivity
134.4
Supplementary Information
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