名称: tert-butyl 4-{4-chloro-6-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-1-yl]-1,3,5-triazin-2-yl}-1-piperazinecarboxylate
SMILES:
COc1cccc2c1nc(C(F)F)n2-c1nc(Cl)nc(N2CCN(C(=O)OC(C)(C)C)CC2)n1Molecular Processing
Molecular formula
C21H24ClF2N7O3
Molecular weight
495.92
Exact mass
495.1597
XLogP
3.87
TPSA
98.5
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.476
Molar refractivity
120.99
Supplementary Information
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