SMILES:
N#Cc1c(NCCO)nc(NCc2cccnc2)nc1N1CCC(c2ccccc2)CC1Molecular Processing
Molecular formula
C24H27N7O
Molecular weight
429.53
Exact mass
429.2277
XLogP
3.14
TPSA
109.99
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
124.52
Supplementary Information
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