COc1c2ccc(N)cc2nn1CC(C)(C#N)NC(=O)c1ccc(OC(F)(F)F)cc1
الاسم: N-[1-(6-amino-3-methoxyindazol-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide
SMILES: COc1c2ccc(N)cc2nn1CC(C)(C#N)NC(=O)c1ccc(OC(F)(F)F)cc1

Molecular Processing

Molecular formula
C20H18F3N5O3
Molecular weight
433.39
Exact mass
433.1362
XLogP
3.24
TPSA
115.19
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
105.31

Supplementary Information

InChIKey: UESAMVSEKXRHFM-UHFFFAOYSA-N
مرادفات
N-[2-(6-Amino-3-methoxy-2H-indazol-2-yl)-1-cyano-1-methylethyl]-4-trifluoromethoxybenzamideSCHEMBL203569
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