이름: 1,3-bis(4-[N-(2,4-dichloro-1,3,5-triazin-6-yl)amino]phenoxy)-2,2-bis[(4-[N-(2,4-dichloro-1,3,5-triazin-6-yl)amino]phenoxy)methyl]propane
SMILES:
Clc1nc(Cl)nc(Nc2ccc(OCC(COc3ccc(Nc4nc(Cl)nc(Cl)n4)cc3)(COc3ccc(Nc4nc(Cl)nc(Cl)n4)cc3)COc3ccc(Nc4nc(Cl)nc(Cl)n4)cc3)cc2)n1Molecular Processing
Molecular formula
C41H28Cl8N16O4
Molecular weight
1092.41
Exact mass
1087.9988
XLogP
11.23
TPSA
239.72
H-bond donors
4
H-bond acceptors
20
Rotatable bonds
20
Heavy atoms
69
Rings
8
Aromatic rings
8
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
28
Covalent units
1
Fraction Csp3
0.122
Molar refractivity
262.7
Supplementary Information
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