Nc1ncnn2c(C3CCN(CCO)CC3)cc(-c3ccc4cn(Cc5ccccc5)nc4c3)c12
SMILES: Nc1ncnn2c(C3CCN(CCO)CC3)cc(-c3ccc4cn(Cc5ccccc5)nc4c3)c12

Molecular Processing

Molecular formula
C27H29N7O
Molecular weight
467.58
Exact mass
467.2434
XLogP
3.55
TPSA
97.5
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
35
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.296
Molar refractivity
137.17

Supplementary Information

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