Name: N-[3-({2-(difluoromethyl)-1-[4-(4-morpholinyl)-6-(1-piperazinyl)-1,3,5-triazin-2-yl]-1H-benzimidazol-4-yl}oxy)propyl]-N,N-dimethylamine
SMILES:
CN(C)CCCOc1cccc2c1nc(C(F)F)n2-c1nc(N2CCNCC2)nc(N2CCOCC2)n1Molecular Processing
Molecular formula
C24H33F2N9O2
Molecular weight
517.59
Exact mass
517.2725
XLogP
1.72
TPSA
96.7
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
9
Heavy atoms
37
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.583
Molar refractivity
136.19
Supplementary Information
Details werden geladen…
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