이름: tert-butyl rac-(3R,4R)-4-(6-bromo-4-oxobenzo[h]quinazolin-3(4H)-yl)-3-hydroxypiperidine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCC(n2cnc3c(cc(Br)c4ccccc43)c2=O)C(O)C1Molecular Processing
Molecular formula
C22H24BrN3O4
Molecular weight
474.36
Exact mass
473.095
XLogP
3.86
TPSA
84.66
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
118.68
Supplementary Information
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