名称: 1-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-chloro-1,3,5-triazin-2-yl)piperidin-4-one
SMILES:
O=C1CCN(c2nc(Cl)nc(N3CC4CCC(C3)O4)n2)CC1Molecular Processing
Molecular formula
C14H18ClN5O2
Molecular weight
323.78
Exact mass
323.1149
XLogP
1.06
TPSA
71.45
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
22
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
81.4
Supplementary Information
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