Название: 1,1-dimethylethyl {2-[(3′-cyano-4-biphenyl)oxy]ethyl}(4,4-dimethylcyclohexyl)carbamate
SMILES:
CC1(C)CCC(N(CCOc2ccc(-c3cccc(C#N)c3)cc2)C(=O)OC(C)(C)C)CC1Molecular Processing
Molecular formula
C28H36N2O3
Molecular weight
448.61
Exact mass
448.2726
XLogP
6.81
TPSA
62.56
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
131.07
Supplementary Information
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