이름: Biaryl amine
SMILES:
COc1ccc(-c2ccnc(C)c2)cc1CNC1CCC(N(C)C(=O)OC(C)(C)C)CC1Molecular Processing
Molecular formula
C26H37N3O3
Molecular weight
439.6
Exact mass
439.2835
XLogP
5.33
TPSA
63.69
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
127.84
Supplementary Information
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