이름: 2,2,2-trifluoro-N-((1R,2S)-1-(1-(4-(hydroxymethyl)phenyl)-1H-indazol-5-yloxy)-1-phenylpropan-2-yl)acetamide
SMILES:
C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(CO)cc2)c1)c1ccccc1Molecular Processing
Molecular formula
C25H22F3N3O3
Molecular weight
469.46
Exact mass
469.1613
XLogP
4.7
TPSA
76.38
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
34
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
120.46
Supplementary Information
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