CC(C)C1=CC(=C(C=C1)OC)C2=C(C=C(C=C2)N)CN(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC
الاسم: methyl N-[[5-amino-2-(2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]carbamate
SMILES: CC(C)C1=CC(=C(C=C1)OC)C2=C(C=C(C=C2)N)CN(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC

Molecular 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

InChIKey: QMDMWGKKJUHPCO-UHFFFAOYSA-N
مرادفات
CHEMBL1290527Methyl [(4-amino-5'-isopropyl-2'-methoxybiphenyl-2-yl)methyl][3,5-bis(trifluoromethyl)benzyl]carbamateSCHEMBL9885286BDBM50331760methyl(4-amino-5''-isopropyl-2''-methoxybiphenyl-2-yl)methyl(3,5-bis(trifluoromethyl)benzyl)carbamate
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