الاسم: 2-(3,5-Dichloropyridin-4-yl)-1-{9-methoxy-spiro[2H-1,5-benzodioxepin-3(4H),3′-oxetane]-6-yl}ethanone
SMILES:
COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c2c1OCC1(COC1)CO2Molecular Processing
Molecular formula
C19H17Cl2NO5
Molecular weight
410.25
Exact mass
409.0484
XLogP
3.61
TPSA
66.88
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
99.53
Supplementary Information
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