이름: methyl [(4-amino-5′-isopropyl-2′-methoxybiphenyl-2-yl)methyl][3,5-bis(trifluoromethyl)benzyl]carbamate
SMILES:
COC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cc(N)ccc1-c1cc(C(C)C)ccc1OCMolecular Processing
Molecular formula
C28H28F6N2O3
Molecular weight
554.53
Exact mass
554.2004
XLogP
7.87
TPSA
64.79
H-bond donors
1
H-bond acceptors
4
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
135.03
Supplementary Information
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