C[Si](C)(C)CCOCn1c(=O)n(CCCOC2CCCCO2)c(=O)c2c(Cc3ccc(Cl)cc3)c(-c3cccc(Cl)c3)oc21
名称: 5-(4-chlorobenzyl)-6-(3-chlorophenyl)-3-(3-(tetrahydro-2H-pyran-2-yloxy) propyl)-1-((2-(trimethylsilyl)ethoxy)methyl)furo[2,3-d]pyrimidine-2,4(1H,3H)-dione
SMILES: C[Si](C)(C)CCOCn1c(=O)n(CCCOC2CCCCO2)c(=O)c2c(Cc3ccc(Cl)cc3)c(-c3cccc(Cl)c3)oc21

Molecular Processing

Molecular formula
C33H40Cl2N2O6Si
Molecular weight
659.68
Exact mass
658.2033
XLogP
7.57
TPSA
84.83
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
13
Heavy atoms
44
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
177.7

Supplementary Information

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