Name: N-trityl-1-[4-(benzoxazol-2-yl)benzyloxy]tricyclo[3.3.1.13,7 ]-decan-2-amine
SMILES:
c1ccc(C(NC2C3CC4CC(C3)CC2(OCc2ccc(-c3nc5ccccc5o3)cc2)C4)(c2ccccc2)c2ccccc2)cc1Molecular Processing
Molecular formula
C43H40N2O2
Molecular weight
616.81
Exact mass
616.309
XLogP
9.54
TPSA
47.29
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
47
Rings
10
Aromatic rings
6
Saturated rings
4
Aliphatic rings
4
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.279
Molar refractivity
186.65
Supplementary Information
Details werden geladen…
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