COc1cc(OC)nc(N2CCC3(CC2)OCC(CCl)O3)n1
名称: 2-chloromethyl-8-(4,6-dimethoxy-pyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4,5]decane
SMILES: COc1cc(OC)nc(N2CCC3(CC2)OCC(CCl)O3)n1

Molecular Processing

Molecular formula
C14H20ClN3O4
Molecular weight
329.78
Exact mass
329.1142
XLogP
1.44
TPSA
65.94
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
80.86

Supplementary Information

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