OC[C@H]1O[C@@H](n2cnc3c(NN4CC=C(c5ccccc5)CC4)nc(Cl)nc32)[C@H](O)[C@@H]1O
名称: title compound
SMILES: OC[C@H]1O[C@@H](n2cnc3c(NN4CC=C(c5ccccc5)CC4)nc(Cl)nc32)[C@H](O)[C@@H]1O

Molecular Processing

Molecular formula
C21H23ClN6O4
Molecular weight
458.91
Exact mass
458.1469
XLogP
1.21
TPSA
128.79
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
117.57

Supplementary Information

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