Name: 4-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-1-yl]-6-(4-morpholinyl)-N-[3-(4-morpholinyl)propyl]-N-(4-piperidinyl)-1,3,5-triazin-2-amine
SMILES:
COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N(CCCN2CCOCC2)C2CCNCC2)n1Molecular Processing
Molecular formula
C28H39F2N9O3
Molecular weight
587.68
Exact mass
587.3144
XLogP
2.27
TPSA
105.93
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
10
Heavy atoms
42
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.643
Molar refractivity
154.11
Supplementary Information
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