이름: 3-(5-(4-chlorobenzyl)-1,7-dimethyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidin-3 (2H,4H,5H)-yl)propyl acetate
SMILES:
CC(=O)OCCCn1c(=O)c2c(c(C)cn2Cc2ccc(Cl)cc2)n(C)c1=OMolecular Processing
Molecular formula
C20H22ClN3O4
Molecular weight
403.87
Exact mass
403.1299
XLogP
2.47
TPSA
75.23
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
107.98
Supplementary Information
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