名称: 2-((2-bromopyridin-4-yl)methyl)-9-(quinoxalin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one
SMILES:
O=C1N(Cc2ccnc(Br)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2Molecular Processing
Molecular formula
C23H24BrN5O
Molecular weight
466.38
Exact mass
465.1164
XLogP
4.2
TPSA
62.22
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
120.01
Supplementary Information
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