名称: 4-(4-methylpiperazin-1-ylmethyl)-3-trifluoromethyl-N-{4-methyl-3-[4-(3-pyridyl)pyridin-2-ylamino]phenyl}benzamide
SMILES:
Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1cc(-c2cccnc2)ccn1Molecular Processing
Molecular formula
C31H31F3N6O
Molecular weight
560.62
Exact mass
560.2511
XLogP
6.21
TPSA
73.39
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
41
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.258
Molar refractivity
154.1
Supplementary Information
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