الاسم: {trans-4-[2-hydroxy-3-(3-hydroxy-6-methoxy-[1,5]naphthyridin-4-yl)-propyl]-cyclohexyl}-carbamic acid tert-butyl ester
SMILES:
COc1ccc2ncc(O)c(CC(O)C[C@H]3CC[C@H](NC(=O)OC(C)(C)C)CC3)c2n1Molecular Processing
Molecular formula
C23H33N3O5
Molecular weight
431.53
Exact mass
431.242
XLogP
3.72
TPSA
113.8
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.609
Molar refractivity
117.2
Supplementary Information
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