名称: tert-butyl 4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-chloro-1,3,5-triazin-2-yl)piperazine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCN(c2nc(Cl)nc(N3CC4CCC(C3)O4)n2)CC1Molecular Processing
Molecular formula
C18H27ClN6O3
Molecular weight
410.91
Exact mass
410.1833
XLogP
1.95
TPSA
83.92
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
2
Heavy atoms
28
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.778
Molar refractivity
104.97
Supplementary Information
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