CCNC(=O)C1OC(n2cnc3c(N)nc(C#CC4(O)CCCCC4C)nc32)C(O)C1O
SMILES: CCNC(=O)C1OC(n2cnc3c(N)nc(C#CC4(O)CCCCC4C)nc32)C(O)C1O

Molecular Processing

Molecular formula
C21H28N6O5
Molecular weight
444.49
Exact mass
444.2121
XLogP
-0.54
TPSA
168.64
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
3
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
113.8

Supplementary Information

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