Name: 4-{5-[(3,5-Bis-trifluoromethyl-benzyl)-(5′-isopropyl-2′-methoxy-4-trifluoromethyl-biphenyl-2-ylmethyl)-amino]-tetrazol-2-yl}-butyric acid
SMILES:
COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(CCCC(=O)O)n1Molecular Processing
Molecular formula
C32H30F9N5O3
Molecular weight
703.61
Exact mass
703.2205
XLogP
8.6
TPSA
93.37
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
49
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
17
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
158.54
Supplementary Information
Details werden geladen…
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