COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(C4OCCO4)cnc3F)n2)cc1
Название: 4-(5-(1,3-Dioxolan-2-yl)-2-fluoropyridin-3-yl)-N,N-bis(4-methoxybenzyl)-6-methyl-1,3,5-triazin-2-amine
SMILES: COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(C4OCCO4)cnc3F)n2)cc1

Molecular Processing

Molecular formula
C28H28FN5O4
Molecular weight
517.56
Exact mass
517.2125
XLogP
4.65
TPSA
91.72
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
38
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
0.286
Molar refractivity
138.27

Supplementary Information

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