Name: (E)-3-(1,3-bis(cyclohexylmethyl)-1,2,3,6-tetrahydro-2,6-dioxo-9H-purin-8-yl)cinnamic acid
SMILES:
O=C(O)/C=C/c1cccc(-c2nc3c(=O)n(CC4CCCCC4)c(=O)n(CC4CCCCC4)c3[nH]2)c1Molecular Processing
Molecular formula
C28H34N4O4
Molecular weight
490.6
Exact mass
490.258
XLogP
4.81
TPSA
109.98
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
139.87
Supplementary Information
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