الاسم: 2-(6-(1,4-Diazabicyclo[3.2.2]nonan-4-yl)-2-(3-chlorophenyl)-4-oxoquinazolin-3(4H)-yl)acetic acid
SMILES:
O=C(O)Cn1c(-c2cccc(Cl)c2)nc2ccc(N3CCN4CCC3CC4)cc2c1=OMolecular Processing
Molecular formula
C23H23ClN4O3
Molecular weight
438.92
Exact mass
438.1459
XLogP
3.09
TPSA
78.67
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
31
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
120.89
Supplementary Information
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