名称: methyl [3,5-bis(trifluoromethyl)benzyl][(4-iodo-5′-isopropyl-2′-methoxybiphenyl-2-yl)methyl]carbamate
SMILES:
COC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cc(I)ccc1-c1cc(C(C)C)ccc1OCMolecular Processing
Molecular formula
C28H26F6INO3
Molecular weight
665.41
Exact mass
665.0862
XLogP
8.9
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
39
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
143.33
Supplementary Information
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