이름: ( 2 )
SMILES:
COC(=O)c1ncc(NC2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)CC2)nc1NMolecular Processing
Molecular formula
C21H26N8O4
Molecular weight
454.49
Exact mass
454.2077
XLogP
1.47
TPSA
163.63
H-bond donors
3
H-bond acceptors
12
Rotatable bonds
6
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
123.7
Supplementary Information
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